Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 1/20 | 0.63 |
| ▸ | HTR2C | P28335 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | HTR3A | P46098 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | CASP6 | P55212 | 1/20 | 0.62 |
| ▸ | CD44 | P16070 | 2/20 | 0.44 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL1054 | 0.92 | CYP1A2 (0.55) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL1055 | 0.92 | CYP1A2 (0.55) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL7302315 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL8962749 | 0.78 | CYP1A2 (0.63) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL8962724 | 0.78 | CYP1A2 (0.63) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL7296071 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL7296076 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL7292841 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL7292838 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Alosetron SCHEMBL631 | 0.77 | KCNH2 (1.00) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-5360800-A | Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives | GLAXO GROUP LIMITED (GB) | 1994-11-01 | — | — | US | disclosed |
| US-5276050-A | Administering for treatment of bulemia or seasonal affective disorder | GLAXO GROUP LIMITED (GB) | 1994-01-04 | — | — | US | disclosed |
| US-5225407-A | Cognition activators | GLAXO GROUP LIMITED (GB) | 1993-07-06 | — | — | US | disclosed |
| EP-0450757-A2 | Use of 5-hydroxytryptamine-antagonists in the treatment of mental disorders originating in childhood | GLAXO GROUP LIMITED (GB) | 1991-10-09 | — | — | EP | disclosed |