Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | MGAT3 | Q09327 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15001979 | 0.92 | ABCB1 (0.51) | NPC1RAB9AKMT2AABCB1ABCC1 | |
| SCHEMBL15001984 | 0.88 | NPC1 (0.52) | NPC1RAB9AKMT2AABCB1ABCC1 | |
| SCHEMBL15001832 | 0.83 | ROCK1 (0.48) | NPC1RAB9AKMT2AROCK1MGAT3 | |
| SCHEMBL14982256 | 0.81 | GABRP (0.50) | NPC1RAB9AKMT2AMAPTALDH1A1 | |
| SCHEMBL15001986 | 0.80 | GRM5 (0.46) | NPC1RAB9AKMT2AABCB1MAPT | |
| SCHEMBL14982207 | 0.79 | LMNA (0.47) | KMT2AMAPTPOLBALDH1A1HSD17B10 | |
| SCHEMBL15001982 | 0.78 | NPC1 (0.47) | NPC1RAB9AKMT2AMAPTPOLB | |
| SCHEMBL14982323 | 0.78 | SLC6A7 (0.54) | NPC1RAB9AKMT2AMAPTPOLB | |
| SCHEMBL15001835 | 0.76 | TAAR1 (0.47) | NPC1RAB9AKMT2AABCB1ABCC1 | |
| SCHEMBL15001846 | 0.76 | ESR1 (0.48) | NPC1RAB9AKMT2AABCB1ABCC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2788086-B1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INT (DE) | 2016-10-12 | — | — | EP | disclosed |
| US-8741892-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-06-03 | — | — | US | disclosed |
| WO-2013083591-A1 | SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | WO | disclosed |
| US-20130143870-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-06 | — | — | US | disclosed |
| US-20130143870-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-06 | — | — | US | 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 (1 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-20130143870-A1 | NOVEL COMPOUNDS | GRM5, GRM1, GRIK5 | NPC1 1813/4885RAB9A 732/4885KMT2A 1800/4885 |
“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.