Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Triphenylmethanethiol SCHEMBL5674467 | 0.81 | CYP2C19 (0.44) | KCNN4OPRM1DRD2DRD3CYP2C19 | |
| Triphenylmethanethiol SCHEMBL34008 | 0.78 | KCNN4 (0.47) | KCNN4CYP2C19ALDH1A1TAAR1ALOX15 | |
| Triphenylmethanethiol SCHEMBL31574007 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19ALDH1A1TAAR1ALOX15 | |
| Triphenylmethanethiol SCHEMBL31657730 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19ALDH1A1TAAR1ALOX15 | |
| Triphenylmethanethiol SCHEMBL31657729 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19ALDH1A1TAAR1ALOX15 | |
| Triphenylmethanethiol SCHEMBL28672638 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19ALDH1A1TAAR1ALOX15 | |
| Triphenylmethanethiol SCHEMBL9653097 | 0.75 | KCNN4 (0.45) | KCNN4CYP2C19ALDH1A1TAAR1ALOX15 | |
| Benzene SCHEMBL28353398 | 0.72 | FFAR3 (0.38) | ALDH1A1ATMCYP3A4 | |
| SCHEMBL2401492 | 0.70 | TSHR (0.46) | KCNN4ALDH1A1TAAR1ALOX15ESR1 | |
| Triphenylmethanethiol SCHEMBL28487307 | 0.70 | TSHR (0.44) | KCNN4CYP2C19HIF1AALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1461324-A4 | HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS | YISSUM RES DEV CO (IL) | 2006-02-01 | — | — | EP | disclosed |
| EP-1461324-A2 | HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS | Yissum Research Development Company of the Hebrew University of Jerusalem (IL) | 2004-09-29 | — | — | EP | disclosed |
| WO-2003059876-A2 | HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2003-07-24 | — | — | WO | disclosed |