Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8801314 | 0.89 | HPGD (0.45) | HPGDSLC6A4CA12CA9HSP90AA1 | |
| SCHEMBL8801310 | 0.89 | HPGD (0.45) | HPGDSLC6A4CA12CA9HSP90AA1 | |
| SCHEMBL8691676 | 0.81 | TACR2 (0.44) | SLC6A4CYP2C19CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL8062847 | 0.78 | SLC6A3 (0.40) | SLC6A4CYP2C19LMNACYP3A4CYP2D6 | |
| SCHEMBL8062852 | 0.78 | SLC6A3 (0.40) | SLC6A4CYP2C19LMNACYP3A4CYP2D6 | |
| SCHEMBL624052 | 0.77 | CYP2C19 (0.60) | SLC6A4CYP2C19LMNASLC6A2SLC6A3 | |
| SCHEMBL5879212 | 0.77 | CYP2C19 (0.60) | SLC6A4CYP2C19LMNASLC6A2SLC6A3 | |
| SCHEMBL5879216 | 0.77 | CYP2C19 (0.60) | SLC6A4CYP2C19LMNASLC6A2SLC6A3 | |
| SCHEMBL8689932 | 0.76 | TACR2 (0.42) | CYP2C19MEN1KMT2ALMNACYP3A4 | |
| SCHEMBL8802198 | 0.76 | TACR3 (0.53) | SLC6A4SLC6A2SLC6A3HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995028931-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO., INC. (US) | 1995-11-02 | — | — | WO | disclosed |
| US-5434158-A | Asthma | MERCK & CO., INC. (US) | 1995-07-18 | — | — | US | disclosed |