Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.58 |
| ▸ | HTR6 | P50406 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | ANXA2 | P07355 | 1/20 | 0.35 |
| ▸ | S100A10 | P60903 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL3825516 | 0.82 | SLC6A4 (0.48) | HTR2CHTR6SLC6A4MAOBMAOA | |
| SCHEMBL14051500 | 0.82 | HPGD (0.41) | HTR2CHTR6MAOBMAOAHPGD | |
| SCHEMBL1295549 | 0.78 | MAPT (0.43) | HPGDALDH1A1SMN1; SMN2KMT2APOLB | |
| SCHEMBL20126552 | 0.78 | HTR2C (0.63) | HTR2CHTR6SLC6A4MAOBMAOA | |
| SCHEMBL12345478 | 0.76 | MAOB (0.39) | MAOBMAOALMNAADH1BADH1C | |
| SCHEMBL920219 | 0.76 | HTR6 (0.72) | HTR2CHTR6SLC6A4MAOBMAOA | |
| SCHEMBL1680382 | 0.76 | HTR2C (0.61) | HTR2CHTR6SLC6A4MAOBMAOA | |
| SCHEMBL8783743 | 0.76 | AKR1B1 (0.57) | HTR2CHTR6HPGDALDH1A1LMNA | |
| SCHEMBL1295715 | 0.74 | FFAR4 (0.42) | ALDH1A1LMNAATM | |
| SCHEMBL13377220 | 0.74 | MAOB (0.52) | MAOBMAOAHPGDALDH1A1 |
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-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |