Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
| ▸ | HEXB | P07686 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2525468 | 0.82 | ALDH1A1 (0.33) | HEXAHEXBACHEALDH1A1CNR2 | |
| SCHEMBL4284518 | 0.82 | HSD17B1 (0.46) | ACHE | |
| SCHEMBL439377 | 0.80 | BRD4 (0.37) | RAB9AACHEALDH1A1KMT2ANPC1 | |
| SCHEMBL16344216 | 0.80 | RAB9A (0.37) | RAB9AHEXAHEXBACHEALDH1A1 | |
| SCHEMBL31236143 | 0.78 | ACHE (0.52) | RAB9AHEXAHEXBACHEALDH1A1 | |
| SCHEMBL17180554 | 0.77 | TAAR1 (0.38) | RAB9AALDH1A1KMT2ANPC1SMN1; SMN2 | |
| SCHEMBL3992773 | 0.76 | ACHE (0.35) | HEXAHEXBACHEALDH1A1MEN1 | |
| SCHEMBL8589881 | 0.74 | MAPT (0.39) | RAB9AACHEALDH1A1MEN1KMT2A | |
| SCHEMBL10987049 | 0.72 | RAPGEF4 (0.31) | ALDH1A1 | |
| SCHEMBL6168418 | 0.72 | ALDH1A1 (0.39) | RAB9AALDH1A1MEN1KMT2AHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261611-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001064678-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-07 | — | — | WO | disclosed |
| EP-0830392-A1 | SUPPORTED CATALYST COMPOSITION FOR POLYMERIZATION OF OLEFINS | W.R. Grace & Co.-Conn. (US) | 1998-03-25 | — | — | EP | disclosed |
| EP-0830385-A1 | HALOGENATED SUPPORTS AND SUPPORTED ACTIVATORS | W.R. Grace & Co.-Conn. (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040804-A1 | SUPPORTED CATALYST COMPOSITION FOR POLYMERIZATION OF OLEFINS | W.R. GRACE & CO.-CONN. (US) | 1996-12-19 | — | — | WO | disclosed |