Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973362 | 0.91 | CHRM2 (0.52) | HPGDKMT2ACHRM2MEN1CHRM4 | |
| SCHEMBL4499814 | 0.85 | ALDH1A1 (0.47) | HPGDKMT2ACHRM2MEN1CHRM4 | |
| SCHEMBL8973436 | 0.83 | ALDH1A1 (0.46) | HPGDKMT2ACHRM2MEN1CHRM4 | |
| SCHEMBL4492592 | 0.82 | POLB (0.45) | HPGDKMT2ACHRM2TAAR1MEN1 | |
| SCHEMBL20871929 | 0.82 | ESR1 (0.50) | KMT2ACHRM2MEN1CHRM4CHRM5 | |
| SCHEMBL510292 | 0.82 | CHRM2 (0.44) | HPGDKMT2ACHRM2MEN1CHRM4 | |
| SCHEMBL3180066 | 0.81 | CHRM2 (0.47) | KMT2ACHRM2TAAR1MEN1CHRM4 | |
| SCHEMBL903315 | 0.79 | CHRM2 (0.58) | KMT2ACHRM2MEN1CHRM4CHRM5 | |
| Water SCHEMBL9667780 | 0.79 | CHRM2 (0.45) | KMT2ACHRM2TAAR1MEN1CHRM4 | |
| SCHEMBL4504077 | 0.79 | ALDH1A1 (0.54) | HPGDKMT2ACHRM2MEN1CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7576198-B1 | Integrase inhibitors containing aromatic heterocycle derivatives | SHIONOGI & CO., LTD. (JP) | 2009-08-18 | — | — | US | disclosed |
| EP-1219607-A1 | INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2002-07-03 | — | — | EP | disclosed |