Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 7/20 | 0.57 |
| ▸ | HTR2C | P28335 | 6/20 | 0.57 |
| ▸ | HTR1D | P28221 | 5/20 | 0.57 |
| ▸ | HTR1B | P28222 | 4/20 | 0.57 |
| ▸ | MPO | P05164 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | HTR6 | P50406 | 2/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | CTSK | P43235 | 1/20 | 0.57 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 7/20 | 0.52 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7312565 | 0.99 | LTA4H (0.61) | LTA4HPLA2G2AHTR2AHTR2CHTR1D | |
| SCHEMBL7324142 | 0.84 | HTR1A (0.60) | HTR2AHTR2CHTR1DHTR1BMPO | |
| SCHEMBL7315772 | 0.83 | HTR1D (0.58) | HTR2AHTR2CHTR1DHTR1BMPO | |
| Trifluoroacetic Acid SCHEMBL7305404 | 0.83 | MPO (0.47) | LTA4HPLA2G2AHTR1DHTR1BMPO | |
| SCHEMBL27596004 | 0.82 | HTR2A (0.59) | HTR2AHTR2CHTR1DHTR1BMPO | |
| SCHEMBL7325786 | 0.82 | CSNK2A1 (0.55) | LTA4HPLA2G2AMPOHTR6MAPT | |
| Hydrochloric Acid SCHEMBL7313598 | 0.81 | LTA4H (0.65) | LTA4HPLA2G2AHTR2AHTR2CHTR1D | |
| SCHEMBL2536567 | 0.80 | LTA4H (0.67) | LTA4HPLA2G2AHTR2AHTR2CHTR1D | |
| Hydrochloric Acid SCHEMBL7318059 | 0.80 | PMP22 (0.51) | LTA4HPLA2G2AHTR2AHTR2CHTR1D | |
| SCHEMBL7391299 | 0.79 | HTR6 (0.51) | HTR2AHTR2CHTR1DHTR1BMPO |
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-0674620-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014771-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |