Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | THPO | P40225 | 1/20 | 0.71 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.70 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.52 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.52 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1041116 | 0.83 | TSHR (1.00) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL7280286 | 0.82 | ALDH1A1 (0.97) | ALDH1A1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL16922679 | 0.77 | NR4A2 (0.65) | ALDH1A1TSHRNR4A2KMT2AGABRA1 | |
| SCHEMBL5739049 | 0.76 | GABRA1 (0.82) | ALDH1A1NR4A2KMT2AGABRA1GABRB1 | |
| SCHEMBL17417676 | 0.75 | CYP2C19 (0.65) | — | |
| SCHEMBL16920143 | 0.72 | NR4A2 (0.61) | ALDH1A1NR4A2KMT2AGABRA1GABRB1 | |
| SCHEMBL498070 | 0.72 | NR4A2 (1.00) | NR4A2GABRA1GABRB1GABRA3GABRB2 | |
| SCHEMBL31435646 | 0.72 | NR4A2 (1.00) | NR4A2GABRA1GABRB1GABRA3GABRB2 | |
| SCHEMBL22602272 | 0.71 | GABRA1 (0.81) | ALDH1A1NR4A2KMT2AGABRA1GABRB1 | |
| SCHEMBL2933511 | 0.71 | HTR1A (0.75) | HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0600955-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-06-15 | — | — | EP | disclosed |
| WO-1993003725-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-03-04 | — | — | WO | disclosed |