Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.56 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR1D | P28221 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 3/20 | 0.40 |
| ▸ | KLK1 | P06870 | 3/20 | 0.40 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21356997 | 0.86 | TAAR1 (0.56) | TAAR1HTR2AHTR1DHTR1AHTR1B | |
| SCHEMBL7324041 | 0.84 | HSD17B1 (0.45) | TAAR1HSD17B1CYP2A6KDM4EHSD17B10 | |
| SCHEMBL9838536 | 0.83 | TAAR1 (0.53) | TAAR1HTR2AHTR1DPLGKLK1 | |
| SCHEMBL27520516 | 0.82 | TAAR1 (0.56) | TAAR1HTR2AHTR1DCYP2A6CYP1A2 | |
| SCHEMBL9838510 | 0.82 | TAAR1 (0.56) | TAAR1HTR2AHTR1DCYP2A6CYP1A2 | |
| SCHEMBL9217873 | 0.81 | HSD17B1 (0.58) | PLGKLK1KLK6HSD17B1CYP2A6 | |
| SCHEMBL17059409 | 0.79 | HTR7 (0.50) | HTR1DHTR1AHTR1BHSD17B1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11477502 | 0.78 | TAAR1 (0.51) | TAAR1HTR2AHTR1DCYP2A6CYP1A2 | |
| SCHEMBL11467939 | 0.78 | MCL1 (0.40) | HTR1DHTR1AHTR1BHSD17B1HMGB1 | |
| SCHEMBL25794901 | 0.78 | PLK1 (0.48) | MEN1KMT2AMAPTHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008452-A | Antidepressants, sedatives and anticonvulsants | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1991-04-16 | — | — | US | disclosed |
| US-4235931-A | ANTIDEPRESSANTS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1980-11-25 | — | — | US | disclosed |
| US-4192818-A | ANTIDEPRESSANTS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1980-03-11 | — | — | US | disclosed |