Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2508265 | 0.76 | PARP1 (0.44) | PARP1ALDH1A1KDM4EGAASMN1; SMN2 | |
| SCHEMBL2509341 | 0.76 | HSD17B10 (0.53) | PARP1ALDH1A1KDM4EHPGDPOLB | |
| SCHEMBL13594653 | 0.75 | ADRB2 (0.52) | PARP1ALDH1A1DHODHCYP1A2KDM4E | |
| SCHEMBL20936149 | 0.75 | PARP1 (0.56) | PARP1ALDH1A1CYP1A2KDM4ECYP2D6 | |
| SCHEMBL353891 | 0.75 | PARP1 (0.56) | PARP1GAA | |
| Bromide SCHEMBL5318091 | 0.73 | PARP1 (0.55) | PARP1GAA | |
| SCHEMBL5788740 | 0.73 | PARP1 (0.54) | PARP1ALDH1A1DHODHCYP1A2KDM4E | |
| SCHEMBL4366276 | 0.73 | KMT2A (0.44) | PARP1ALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL3884588 | 0.72 | PARP1 (0.59) | PARP1ALDH1A1DHODHCYP1A2KDM4E | |
| SCHEMBL1013125 | 0.72 | PARP1 (0.59) | PARP1ALDH1A1DHODHCYP1A2KDM4E |
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-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |
| US-5527815-A | TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, AND HIGH INTRAOCULAR PRESSURE | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1996-06-18 | — | — | US | disclosed |