Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | GABRP | O00591 | 1/20 | 0.56 |
| ▸ | GABRD | O14764 | 1/20 | 0.56 |
| ▸ | IKBKB | O14920 | 1/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | CHUK | O15111 | 1/20 | 0.56 |
| ▸ | PIM1 | P11309 | 1/20 | 0.56 |
| ▸ | TOP1 | P11387 | 1/20 | 0.56 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.56 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.56 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL9042961 | 0.93 | PARP1 (0.76) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL1900370 | 0.90 | PARP1 (1.00) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL9043755 | 0.88 | PARP1 (0.81) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL2689488 | 0.86 | PARP1 (0.87) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL29816631 | 0.84 | ACHE (0.72) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL3224273 | 0.82 | PARP1 (0.75) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL30704720 | 0.81 | PARP1 (1.00) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL1478179 | 0.81 | PARP1 (1.00) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL15133533 | 0.78 | KDM4E (0.68) | PARP1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL15131720 | 0.78 | ACHE (0.62) | PARP1KDM4EALDH1A1HPGDSMN1; 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-0347831-B1 | Pyridine derivatives and intermediates thereof | KYOWA HAKKO KOGYO KK (JP) | 1996-12-11 | — | — | EP | disclosed |
| US-4971964-A | INHIBITORS OF THROMBOXANE SYNTHASE, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORU AGENTS, CANCER | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1990-11-20 | — | — | US | disclosed |
| EP-0347831-A2 | Pyridine derivatives and intermediates thereof | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1989-12-27 | — | — | EP | disclosed |