Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 5/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5149718 | 0.85 | NOS1 (0.51) | NPC1RAB9ANOS1ALDH1A1LTA4H | |
| SCHEMBL10547101 | 0.84 | NOS1 (0.70) | NPC1RAB9AHSP90AB1NOS1ALDH1A1 | |
| SCHEMBL30513256 | 0.82 | RAB9A (0.58) | NPC1RAB9ANOS1ALDH1A1LTA4H | |
| SCHEMBL5041901 | 0.82 | RAB9A (0.51) | NPC1RAB9ANOS1ALDH1A1LTA4H | |
| SCHEMBL1915556 | 0.81 | NOS1 (0.71) | NPC1RAB9ANOS1ALDH1A1LTA4H | |
| SCHEMBL13573326 | 0.80 | NOS1 (0.51) | NPC1RAB9ANOS1LTA4HMAPT | |
| SCHEMBL27923748 | 0.80 | HDAC1 (0.47) | NPC1RAB9AHSP90AB1ALDH1A1GFER | |
| SCHEMBL27603499 | 0.80 | NOS1 (0.50) | NPC1RAB9ANOS1ALDH1A1LTA4H | |
| SCHEMBL1136768 | 0.79 | CYP17A1 (0.51) | NPC1RAB9ANOS1ALDH1A1LTA4H | |
| SCHEMBL10284918 | 0.79 | SMN1; SMN2 (0.55) | NPC1RAB9AHSP90AB1ALDH1A1GFER |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-12 | — | — | US | disclosed |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |
| US-20070203147-A1 | 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors | MERCK SHARP & DOHME CORP. | 2007-08-30 | — | — | US | disclosed |
| US-20070203147-A1 | 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors | MERCK SHARP & DOHME CORP. | 2007-08-30 | — | — | US | disclosed |
| WO-2005097767-A1 | 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070203147-A1 | 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors | BACE2, BACE1, APP | NPC1 574/4885RAB9A 3439/4885HSP90AB1 2864/4885 |
| US-20120172345-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | NPC1 2007/4885RAB9A 1392/4885HSP90AB1 1000/4885 |
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | NPC1 2007/4885RAB9A 1392/4885HSP90AB1 1000/4885 |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | NPC1 1490/4885RAB9A 1033/4885HSP90AB1 689/4885 |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | NPC1 1490/4885RAB9A 1033/4885HSP90AB1 689/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.