Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | FNTA | P49354 | 2/20 | 0.36 |
| ▸ | FNTB | P49356 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6210597 | 0.85 | PARP1 (0.40) | PAX8PARP1PARP2TNKSPARP4 | |
| SCHEMBL6209144 | 0.84 | SMYD3 (0.38) | ALDH1A1FKBP1ACYP2C9 | |
| SCHEMBL6210592 | 0.84 | PAX8 (0.40) | PAX8PARP1PARP2TNKSPARP4 | |
| SCHEMBL4047662 | 0.83 | CTSK (0.41) | PAX8PARP1PARP2TNKSPARP4 | |
| SCHEMBL4040851 | 0.81 | PAX8 (0.37) | PAX8PARP1PARP2TNKSPARP4 | |
| SCHEMBL6210874 | 0.81 | ALDH1A1 (0.40) | KDM4EALDH1A1POLB | |
| SCHEMBL4040341 | 0.81 | PAX8 (0.42) | PAX8PARP1PARP2TNKSPARP4 | |
| SCHEMBL6208517 | 0.81 | HSD17B10 (0.41) | KDM4EALDH1A1POLB | |
| SCHEMBL6211554 | 0.81 | KCNA5 (0.39) | PAX8ALDH1A1 | |
| SCHEMBL6209043 | 0.81 | LMNA (0.41) | ALDH1A1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | claimed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | claimed |
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |