Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL125451 | 0.77 | — | — | |
| SCHEMBL28207920 | 0.74 | ALDH1A1 (0.49) | ALDH1A1 | |
| SCHEMBL27492784 | 0.72 | ALDH1A1 (0.37) | ALDH1A1DPP4CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL16894427 | 0.72 | ALDH1A3 (0.42) | ALDH1A1DPP4CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL16901839 | 0.72 | ALDH1A1 (0.46) | ALDH1A1DPP4CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL18032727 | 0.71 | TUBB4A (0.56) | ALDH1A1DPP4CYP2A6CYP2E1CYP3A4 | |
| SCHEMBL4325866 | 0.71 | ALDH1A1 (0.37) | ALDH1A1DPP4CYP2A6CYP2E1CYP3A4 | |
| 2,5-Thiophenenedicarboxaldehyde SCHEMBL178830 | 0.69 | — | — | |
| SCHEMBL16901840 | 0.69 | ALDH1A1 (0.43) | ALDH1A1DPP4KDM4EMAPTHPGD | |
| SCHEMBL31356847 | 0.68 | EPHX2 (0.40) | ALDH1A1KDM4EMAPTGAAHPGD |
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-4487931-A | Process for the preparation of 2-(thien-2-yl)- and 2-(thien-3-yl)-ethylamine derivatives | SANOFI (FR) | 1984-12-11 | — | — | US | disclosed |
| US-4482718-A | Process for the preparation of 2-(thien-2-yl)- and 2-(thien-3-yl)-ethylamine derivatives | SANOFI (FR) | 1984-11-13 | — | — | US | disclosed |