Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | TGM2 | P21980 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3576603 | 0.94 | ALDH1A1 (0.62) | ALDH1A1LMNARXFP1USP2POLB | |
| Hydrochloric Acid SCHEMBL9035292 | 0.93 | ALDH1A1 (0.61) | ALDH1A1LMNARXFP1USP2POLB | |
| Hydrochloric Acid SCHEMBL1193388 | 0.93 | ALDH1A1 (0.61) | ALDH1A1LMNARXFP1USP2POLB | |
| SCHEMBL6430908 | 0.86 | ALDH1A1 (0.68) | ALDH1A1LMNAUSP2POLBHTT | |
| Trifluoroacetic Acid SCHEMBL8588867 | 0.85 | BACE1 (0.54) | ALDH1A1LMNARXFP1USP2POLB | |
| SCHEMBL25247976 | 0.85 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2POLBHTT | |
| SCHEMBL14720666 | 0.85 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2POLBHTT | |
| SCHEMBL8407368 | 0.85 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2POLBHTT | |
| SCHEMBL28570849 | 0.85 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2POLBHTT | |
| SCHEMBL28394623 | 0.85 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2POLBHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5736539-A | ANITCARCINOGENIC AGENTS | MERCK & CO., INC. (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0703905-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO. INC. (US) | 1996-04-03 | — | — | EP | disclosed |
| WO-1995000497-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1995-01-05 | — | — | WO | disclosed |