Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR6 | P50406 | 5/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544722 | 0.85 | HTR2A (0.53) | MTNR1AMTNR1BNQO2HTR1AHTR2A | |
| SCHEMBL8549023 | 0.84 | MPO (0.48) | MTNR1AMTNR1BNQO2HTR1AHTR2A | |
| SCHEMBL19386209 | 0.82 | MTNR1A (0.67) | MTNR1AMTNR1BNQO2HTR1AHTR2A | |
| SCHEMBL8545111 | 0.82 | MTNR1A (0.53) | MTNR1AMTNR1BNQO2HTR1AHTR2A | |
| Fumaric Acid SCHEMBL8545085 | 0.80 | MTNR1A (0.46) | MTNR1AMTNR1BNQO2HTR1AHTR2A | |
| Fumaric Acid SCHEMBL8545087 | 0.80 | MTNR1A (0.46) | MTNR1AMTNR1BNQO2HTR1AHTR2A | |
| SCHEMBL8545108 | 0.80 | MTNR1A (0.55) | MTNR1AMTNR1BNQO2ABCG2MEN1 | |
| SCHEMBL2541508 | 0.79 | HTR2A (0.65) | HTR1AHTR2AHTR6MEN1CYP1A2 | |
| SCHEMBL8543450 | 0.76 | HTR1A (0.71) | MTNR1AMTNR1BHTR1AHTR2AHTR6 | |
| SCHEMBL2535287 | 0.76 | ALDH1A1 (0.48) | MTNR1AMTNR1BLMNACYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0593513-B1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES | SMITHKLINE BEECHAM PLC (GB) | 1998-10-28 | — | — | EP | disclosed |
| US-5571833-A | TREATMENT OF MIGRAINE, PORTAL HYPERTENSION | SMITHKLINE BEECHAM PLC (GB) | 1996-11-05 | — | — | US | disclosed |
| EP-0593513-A1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES | SMITHKLINE BEECHAM PLC (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993000333-A1 | TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-01-07 | — | — | WO | disclosed |