Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.53 |
| ▸ | TYMS | P04818 | 9/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.43 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.43 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL30838794 | 0.74 | PARP1 (1.00) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL9259148 | 0.74 | PARP1 (1.00) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL12169919 | 0.74 | PARP1 (0.64) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL19936540 | 0.72 | PARP1 (0.66) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL7827393 | 0.71 | PARP1 (0.56) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL405327 | 0.71 | KMT2A (0.61) | ALDH1A1POLBACVR1ADORA3KDM4E | |
| SCHEMBL328456 | 0.71 | PARP1 (0.70) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL2659299 | 0.71 | PARP1 (1.00) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL12169915 | 0.71 | PARP1 (1.00) | PARP1TNKS2TYMSBMPR1BRAF1 | |
| SCHEMBL29442253 | 0.71 | PARP1 (0.70) | PARP1HPGDALDH1A1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637300-B1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMA (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-0637300-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993020055-A1 | ANTIPROLIFERATIVE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-10-14 | — | — | WO | disclosed |