Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | OGA | O60502 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9536443 | 1.00 | PTPN1 (0.36) | PTPN1ADORA3NPC1RAB9AKMT2A | |
| SCHEMBL9536792 | 0.88 | ADORA3 (0.36) | ADORA3NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL9536787 | 0.88 | ADORA3 (0.36) | ADORA3NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL9460890 | 0.78 | ALDH1A1 (0.35) | ADORA3NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL9460885 | 0.78 | ALDH1A1 (0.35) | ADORA3NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL9538323 | 0.77 | RARG (0.38) | ADORA3NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL9537038 | 0.76 | L3MBTL1 (0.48) | KMT2AALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL9537034 | 0.76 | L3MBTL1 (0.48) | KMT2AALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL9380847 | 0.70 | CYP1A2 (0.40) | ADORA3RAB9AALDH1A1LMNACYP1A2 | |
| SCHEMBL9382565 | 0.70 | GABRA1 (0.43) | RAB9AKMT2AMEN1ALDH1A1HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0215063-B1 | PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES | UNIV PRINCETON (US) | 1993-11-03 | — | — | EP | disclosed |
| US-5026851-A | Antineoplastic agents | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1991-06-25 | — | — | US | disclosed |
| US-4927828-A | ANTITUMOR | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1990-05-22 | — | — | US | disclosed |
| US-4845216-A | ANTITUMOR AGENTS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1989-07-04 | — | — | US | disclosed |
| EP-0215063-A4 | PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. | UNIV PRINCETON (US) | 1987-11-23 | — | — | EP | disclosed |
| US-4684653-A | ANTITUMOR AGENTS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1987-08-04 | — | — | US | disclosed |
| EP-0215063-A1 | PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. | UNIV PRINCETON (US) | 1987-03-25 | — | — | EP | disclosed |
| WO-1986005181-A1 | PYRIDO AD2,3-d BDPYRIMIDIN DERIVATIVES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1986-09-12 | — | — | WO | disclosed |