Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.34 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7831351 | 0.81 | LOXL2 (0.41) | CYP2A6LOXL2HRH3TYMPCYP19A1 | |
| SCHEMBL6957479 | 0.69 | ALDH1A1 (0.42) | CYP2A6LOXL2HRH3TYMPCYP19A1 | |
| Hydrochloric Acid SCHEMBL7841514 | 0.69 | LOXL2 (0.40) | CYP2A6LOXL2HRH3TYMPCYP19A1 | |
| SCHEMBL1507946 | 0.68 | HRH3 (0.47) | CYP2A6LOXL2HRH3TYMPCYP19A1 | |
| SCHEMBL7467898 | 0.68 | LOXL2 (0.42) | CYP2A6LOXL2HRH3TYMPCYP19A1 | |
| SCHEMBL15344081 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL7841070 | 0.67 | LOXL2 (0.41) | CYP2A6LOXL2HRH3TYMPCYP19A1 | |
| SCHEMBL91062 | 0.66 | CYP2A6 (1.00) | CYP2A6LOXL2CYP19A1MAPTHPGD | |
| SCHEMBL1696527 | 0.66 | CYP2A6 (0.42) | CYP2A6CYP11B2 | |
| SCHEMBL7466369 | 0.66 | TYMP (0.41) | CYP2A6LOXL2HRH3TYMPCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1158982-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1158982-A2 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000052134-A2 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |