Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL13005605 | 0.84 | SLC6A2 (0.45) | TAAR1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL13060681 | 0.80 | TAAR1 (0.43) | TAAR1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL13061096 | 0.79 | TAS2R14 (0.40) | TAAR1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL12772089 | 0.75 | TAS2R14 (0.50) | TAAR1ALDH1A1TSHRTAS2R14CYP2D6 | |
| SCHEMBL24968789 | 0.74 | SLC6A2 (0.52) | TAAR1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL12857 | 0.74 | ALDH1A1 (0.56) | TAAR1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL4970861 | 0.73 | SIGMAR1 (0.49) | ALDH1A1TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10039143 | 0.73 | CALM1 (0.64) | TAAR1ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL7048153 | 0.72 | TAS2R14 (0.51) | TAAR1ALDH1A1TSHRTAS2R14CYP2D6 | |
| SCHEMBL14024632 | 0.72 | SLC6A2 (0.46) | TAAR1ALDH1A1SLC6A2SLC6A4SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |