Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10298244 | 0.89 | ALDH1A1 (0.44) | ALDH1A1POLBCNR2HSD17B10ALOX15 | |
| SCHEMBL10288080 | 0.82 | HSD17B10 (0.53) | ALDH1A1HSD17B10ALOX15HPGDMAPT | |
| SCHEMBL10288334 | 0.80 | ALDH1A1 (0.50) | ALDH1A1POLBHSD17B10HPGDMAPT | |
| SCHEMBL10288077 | 0.79 | ALDH1A1 (0.44) | ALDH1A1POLBCNR2HSD17B10ALOX15 | |
| SCHEMBL18396188 | 0.77 | ALDH1A1 (0.51) | ALDH1A1POLBHSD17B10ALOX15HPGD | |
| SCHEMBL18394896 | 0.77 | ALDH1A1 (0.48) | ALDH1A1POLBHSD17B10ALOX15HPGD | |
| SCHEMBL3757634 | 0.76 | PIK3CD (0.47) | ALDH1A1POLBCNR2HSD17B10MAPT | |
| SCHEMBL3120329 | 0.76 | ALDH1A1 (0.47) | ALDH1A1POLBCNR2HSD17B10ALOX15 | |
| SCHEMBL20098347 | 0.76 | ALDH1A1 (0.45) | ALDH1A1HSD17B10ALOX15HPGDMGLL | |
| SCHEMBL623010 | 0.75 | PIK3CA (0.50) | ALDH1A1POLBHPGDKDM4EMEN1 |
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 7 patents. 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-20150175593-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARM INC (US) | 2015-06-25 | — | — | US | disclosed |
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796268-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-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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-20120172345-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | ALDH1A1 429/4885POLB 1367/4885CNR2 778/4885 |
| US-20150175563-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | ALDH1A1 429/4885POLB 1367/4885CNR2 778/4885 |
| US-20120178723-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | ALDH1A1 395/4885POLB 1823/4885CNR2 583/4885 |
| US-20150175593-A1 | HETEROARYLS AND USES THEREOF | PIK3R1, PIK3R2, PIK3R3 | ALDH1A1 395/4885POLB 1823/4885CNR2 583/4885 |
“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.