Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.57 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.51 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.44 |
| ▸ | KLK1 | P06870 | 1/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11357644 | 0.87 | TAAR1 (0.61) | TAAR1HTR1AGAASMN1; SMN2NPC1 | |
| SCHEMBL7022457 | 0.86 | TBXAS1 (0.45) | TAAR1CYP17A1PLA2G10PLA2G2APARP10 | |
| Hydrochloric Acid SCHEMBL9853948 | 0.84 | TAAR1 (0.62) | TAAR1KLK1KLK5HTR1AGAA | |
| SCHEMBL6432418 | 0.84 | TAAR1 (0.57) | TAAR1KLK1KLK5HTR1AGAA | |
| SCHEMBL13372830 | 0.82 | TAAR1 (0.80) | TAAR1HTR1ASMN1; SMN2 | |
| SCHEMBL6746541 | 0.80 | ALDH1A1 (0.60) | TAAR1HTR1AGAASMN1; SMN2NPC1 | |
| SCHEMBL10944433 | 0.79 | PARP1 (0.54) | TAAR1PLA2G10PLA2G2APARP10HTR1A | |
| SCHEMBL10999093 | 0.79 | TAAR1 (0.55) | TAAR1HTR1AGAASMN1; SMN2RAB9A | |
| SCHEMBL10945831 | 0.79 | TAAR1 (0.51) | TAAR1HTR1AGAASMN1; SMN2RAB9A | |
| SCHEMBL9416067 | 0.79 | TAAR1 (0.64) | TAAR1HTR1AGAASMN1; SMN2TBXAS1 |
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-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |