Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL27757418 | 0.98 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 | |
| SCHEMBL9480536 | 0.89 | IDO1 (0.52) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 | |
| SCHEMBL7506347 | 0.84 | LMNA (0.59) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 | |
| SCHEMBL7506353 | 0.84 | LMNA (0.59) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 | |
| SCHEMBL18177742 | 0.82 | LMNA (0.49) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 | |
| SCHEMBL1552419 | 0.82 | IDO1 (0.46) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 | |
| SCHEMBL1552498 | 0.82 | IDO1 (0.46) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 | |
| SCHEMBL23961372 | 0.81 | IDO1 (0.48) | ALDH1A1IDO1TAAR1CHRM2CHRM1 | |
| SCHEMBL8221027 | 0.81 | IDO1 (0.48) | ALDH1A1IDO1TAAR1CHRM2CHRM1 | |
| SCHEMBL15319961 | 0.81 | IDO1 (0.42) | ALDH1A1LMNASMN1; SMN2IDO1TAAR1 |
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-0649412-A4 | PHARMACEUTICAL PYRIDINE COMPOUNDS. | SMITHKLINE BEECHAM CORP (US) | 1995-07-05 | — | — | EP | disclosed |
| EP-0649412-A1 | PHARMACEUTICAL PYRIDINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-04-26 | — | — | EP | disclosed |
| WO-1994000437-A1 | PHARMACEUTICAL PYRIDINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-01-06 | — | — | WO | disclosed |