Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.32 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.32 |
| ▸ | ITGA2 | P17301 | 4/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HEXA | P06865 | 1/20 | 0.32 |
| ▸ | HEXB | P07686 | 1/20 | 0.32 |
| ▸ | WEE1 | P30291 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9491320 | 0.87 | TSHR (0.33) | DRD2ACKR3ITGB1ITGA2TSHR | |
| SCHEMBL8980622 | 0.83 | PARP1 (0.43) | PARP1PARP2SIRT2SIRT1HEXA | |
| SCHEMBL9493171 | 0.81 | ALDH1A1 (0.36) | PARP1ACKR3TSHR | |
| SCHEMBL9492003 | 0.78 | PTK2 (0.30) | — | |
| SCHEMBL6947117 | 0.76 | TSHR (0.41) | PARP1PARP2SIRT1TSHRHEXA | |
| SCHEMBL8573189 | 0.71 | MAOB (0.40) | MAPTNPSR1 | |
| SCHEMBL8980735 | 0.71 | DPP4 (0.39) | NPSR1 | |
| SCHEMBL8368757 | 0.70 | KDM4E (0.35) | PARP1PARP2TSHRHEXAHEXB | |
| SCHEMBL8980753 | 0.69 | DPP4 (0.36) | — | |
| SCHEMBL8578943 | 0.68 | PRMT5 (0.39) | SIRT1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5189034-A | Vasodilating, antianginal agents | ITALFARMACO S.P.A. (IT) | 1993-02-23 | — | — | US | disclosed |
| EP-0490183-A1 | Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity | ITALFARMACO S.p.A. (IT) | 1992-06-17 | — | — | EP | disclosed |