Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9155829 | 0.85 | ALDH1A1 (0.45) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL9158357 | 0.83 | GAA (0.46) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL9158363 | 0.83 | GAA (0.46) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL9158034 | 0.69 | CYP2C9 (0.39) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL5511994 | 0.69 | CA12 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2AEPHX2 | |
| SCHEMBL21028177 | 0.68 | LIPE (0.46) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL31378269 | 0.68 | CTSL (0.49) | ALDH1A1CYP2C19SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4819135 | 0.67 | CYP2C19 (0.61) | ALDH1A1CYP2C9CYP2C19EPHX2CYP1A2 | |
| SCHEMBL4819125 | 0.67 | CYP2C19 (0.61) | ALDH1A1CYP2C9CYP2C19EPHX2CYP1A2 | |
| SCHEMBL27459999 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5382590-A | Gastrointestinal disorders and nervous system disorders | RHONE-POULENC RORER S.A. (FR) | 1995-01-17 | — | — | US | disclosed |