Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7984140 | 0.80 | ALDH1A1 (0.58) | KDM4ERXFP1KMT2AALDH1A1MEN1 | |
| SCHEMBL7468432 | 0.73 | NPC1 (0.57) | KDM4EKMT2AALDH1A1MEN1POLB | |
| SCHEMBL28460536 | 0.73 | PIN1 (0.62) | KDM4EALDH1A1TP53SMN1; SMN2HPGD | |
| SCHEMBL4532779 | 0.72 | KDM4E (0.53) | CYP1A2KDM4ERXFP1KMT2AALDH1A1 | |
| SCHEMBL7967769 | 0.72 | VCP (0.56) | CYP1A2KDM4ERXFP1KMT2AALDH1A1 | |
| SCHEMBL3428162 | 0.71 | ALDH1A1 (0.67) | CYP1A2KDM4ERXFP1KMT2AALDH1A1 | |
| SCHEMBL7481662 | 0.70 | MAPT (0.53) | KDM4EKMT2AALDH1A1MEN1POLB | |
| SCHEMBL7471000 | 0.70 | MEN1 (0.48) | KDM4EKMT2AALDH1A1MEN1POLB | |
| SCHEMBL7376460 | 0.70 | NPY5R (0.45) | KDM4EALDH1A1TP53SMN1; SMN2HPGD | |
| SCHEMBL4113640 | 0.70 | PIN1 (0.64) | KDM4EALDH1A1PARP1SLC9A1PIN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | disclosed |