Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
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 SCHEMBL5674474 | 0.81 | KCNN4 (0.39) | CYP2C19HIF1AOPRM1DRD3DRD2 | |
| Triphenylmethanethiol SCHEMBL27577128 | 0.77 | CES2 (0.47) | CYP2C19HIF1AMAPTCES2CES1 | |
| Triphenylmethanethiol SCHEMBL34008 | 0.76 | KCNN4 (0.47) | CYP2C19KCNN4CYP1A2ESR1ESR2 | |
| Triphenylmethanethiol SCHEMBL28672638 | 0.74 | KCNN4 (0.45) | CYP2C19KCNN4CYP1A2ESR1ESR2 | |
| Triphenylmethanethiol SCHEMBL31657729 | 0.74 | KCNN4 (0.45) | CYP2C19KCNN4CYP1A2ESR1ESR2 | |
| Triphenylmethanethiol SCHEMBL9653097 | 0.74 | KCNN4 (0.45) | CYP2C19KCNN4CYP1A2ESR1ESR2 | |
| Triphenylmethanethiol SCHEMBL31657730 | 0.74 | KCNN4 (0.45) | CYP2C19KCNN4CYP1A2ESR1ESR2 | |
| Triphenylmethanethiol SCHEMBL31574007 | 0.74 | KCNN4 (0.45) | CYP2C19KCNN4CYP1A2SMN1; SMN2ESR1 | |
| Triphenylmethanethiol SCHEMBL28487307 | 0.73 | TSHR (0.44) | CYP2C19HIF1AMAPTKMT2AKCNN4 | |
| SCHEMBL9845386 | 0.72 | CYP2C19 (0.46) | CYP2C19HIF1AOPRM1DRD3DRD2 |
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 |