Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 3/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL5838358 | 0.84 | ALDH1A1 (0.35) | ALDH1A1MAPK1MTNR1AMTNR1BNPC1 | |
| SCHEMBL670441 | 0.72 | LIPE (0.35) | ALDH1A1FDPSLMNACYP1A2CYP2C19 | |
| SCHEMBL15229065 | 0.68 | MAOA (0.35) | ALDH1A1CYP2D6MEN1KMT2AMAPT | |
| SCHEMBL7179298 | 0.68 | L3MBTL1 (0.33) | MAPK1SMN1; SMN2LMNAMAPT | |
| SCHEMBL19514665 | 0.68 | MEN1 (0.40) | ALDH1A1HPGDLMNAHDAC1HDAC6 | |
| SCHEMBL9125570 | 0.68 | CA2 (0.57) | ALDH1A1MAPK1MTNR1AMTNR1BNPC1 | |
| SCHEMBL17652426 | 0.67 | IDO1 (0.38) | ALDH1A1SMN1; SMN2RECQLHPGDUSP2 | |
| SCHEMBL119711 | 0.66 | TRPV6 (0.39) | ALDH1A1MAPK1CYP2C19 | |
| SCHEMBL18550022 | 0.65 | AOC3 (0.38) | ALDH1A1SMN1; SMN2FDPSNFKB1LMNA | |
| SCHEMBL5953079 | 0.64 | ANPEP (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1206449-A1 | LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001007407-A1 | LACTAM INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-02-01 | — | — | WO | disclosed |