Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL27476939 | 0.97 | TSHR (0.50) | TSHRSLC6A3SLC6A2SLC6A4CYP2A6 | |
| Naphthalene SCHEMBL1961577 | 0.81 | ALDH1A1 (0.56) | TSHRSLC6A3SLC6A2SLC6A4CYP2A6 | |
| Naphthalene SCHEMBL28307374 | 0.81 | TSHR (0.54) | TSHRSLC6A3SLC6A2SLC6A4CYP2A6 | |
| Toluene SCHEMBL4143874 | 0.80 | LMNA (0.52) | TSHRALOX12ALDH1A1KCNN4LMNA | |
| Phenol SCHEMBL28467088 | 0.80 | CA12 (0.52) | TSHRALDH1A1KCNN4LMNAKMT2A | |
| Naphthalene SCHEMBL17433517 | 0.80 | CYP2A6 (0.57) | TSHRCYP2A6ALOX12ALDH1A1KMT2A | |
| Benzene SCHEMBL27506732 | 0.80 | TSHR (0.43) | TSHRALDH1A1KCNN4LMNAKMT2A | |
| Naphthalene SCHEMBL1348831 | 0.77 | CYP2A6 (0.53) | TSHRCYP2A6ALOX12ALDH1A1KMT2A | |
| Naphthalene SCHEMBL28261717 | 0.77 | CYP2A6 (0.53) | TSHRCYP2A6ALOX12ALDH1A1KMT2A | |
| SCHEMBL3228306 | 0.77 | ALDH1A1 (0.46) | TSHRALDH1A1LMNAKMT2AHSP90AA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1107502-C | Preparation method for medicinal composition containing hydrogenated pyridine derivative as active components | SANKYO CO (JP) | 2003-05-07 | — | — | CN | disclosed |
| CN-1217186-A | Preparation method for medicinal composition containing hydrogenated pyridine derivative as active components | SANKYO CO (JP) | 1999-05-26 | — | — | CN | disclosed |
| CN-1041730-C | Process for preparing hydrogenated pyridine derivatives | SANKYO CO (JP) | 1999-01-20 | — | — | CN | disclosed |
| CN-1074446-A | Hydroxypyridine Derivatives | SANKYO CO (JP) | 1993-07-21 | — | — | CN | disclosed |