Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| SCHEMBL1126096 | 0.91 | ALDH1A1 (0.47) | ALDH1A1RAB9AKMT2AMEN1CYP2D6 | |
| SCHEMBL1126239 | 0.91 | ALDH1A1 (0.47) | ALDH1A1RAB9AKMT2AMEN1CYP2D6 | |
| SCHEMBL1126098 | 0.91 | ALDH1A1 (0.47) | ALDH1A1RAB9AKMT2AMEN1CYP2D6 | |
| SCHEMBL18291465 | 0.86 | HRH3 (0.46) | KMT2AHRH3ACHELTA4HSSTR5 | |
| SCHEMBL18291525 | 0.85 | HRH3 (0.48) | KMT2AHRH3ACHELTA4HSSTR5 | |
| SCHEMBL2231495 | 0.84 | HRH3 (0.58) | ALDH1A1KMT2AHRH3ACHELTA4H | |
| SCHEMBL18291424 | 0.82 | KDM4E (0.54) | ALDH1A1RAB9AKMT2ANPC1HRH3 | |
| SCHEMBL18291766 | 0.82 | ALDH1A1 (0.58) | ALDH1A1ACHELTA4HKDM4EPOLB | |
| SCHEMBL18291757 | 0.82 | ALDH1A1 (0.58) | ALDH1A1ACHELTA4HKDM4EPOLB | |
| SCHEMBL18291758 | 0.82 | ALDH1A1 (0.58) | ALDH1A1ACHELTA4HKDM4EPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |
| WO-2009085185-A1 | FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS | AMGEN INC. (US) | 2009-07-09 | — | — | WO | disclosed |