Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4825713 | 0.85 | ALDH1A1 (0.49) | POLBALDH1A1NPC1LMNALOXL2 | |
| SCHEMBL5654058 | 0.78 | CYP1A2 (0.45) | POLBALDH1A1NPC1LMNAMAPT | |
| SCHEMBL27631985 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTCYP19A1KMT2A | |
| SCHEMBL6358697 | 0.77 | PKM (0.58) | ALDH1A1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL12414593 | 0.77 | TRPV1 (0.66) | ALDH1A1TGM2CYP2C19SMN1; SMN2 | |
| SCHEMBL4834216 | 0.76 | ALDH1A1 (0.45) | ALDH1A1NPC1LMNARAB9ACYP19A1 | |
| SCHEMBL3824667 | 0.76 | ALDH1A1 (0.55) | POLBALDH1A1LMNATSHRSMN1; SMN2 | |
| SCHEMBL4409003 | 0.75 | CNR2 (0.49) | ALDH1A1LMNAKMT2A | |
| SCHEMBL1674067 | 0.73 | PTGS2 (0.57) | ALDH1A1LMNAMAPTRAB9AKMT2A | |
| SCHEMBL7823805 | 0.72 | HTR1A (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2 |
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-0630374-B1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 2001-09-05 | — | — | EP | disclosed |
| US-5510362-A | VASOCONSTRUCTION | MERCK, SHARP AND DOHME LIMITED (GB) | 1996-04-23 | — | — | US | disclosed |
| EP-0630374-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1994-12-28 | — | — | EP | disclosed |
| WO-1993018029-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-16 | — | — | WO | disclosed |