Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13061103 | 0.92 | TSHR (0.35) | TAAR1PYCR1TSHRGRIN2DGRIN3B | |
| SCHEMBL13005518 | 0.87 | CETP (0.40) | TAAR1CETPTSHRGRIN2DGRIN3B | |
| SCHEMBL13005522 | 0.86 | CETP (0.36) | CETPGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL13005520 | 0.86 | LMNA (0.37) | TAAR1CETPPYCR1LMNA | |
| SCHEMBL13005500 | 0.86 | GABRA1 (0.39) | CETPGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL13005504 | 0.86 | ALDH1A1 (0.36) | TAAR1CETPGRIN2DGRIN3BGRIN1 | |
| SCHEMBL13005616 | 0.84 | BCHE (0.40) | CETPCYP2D6 | |
| SCHEMBL13005513 | 0.84 | CETP (0.32) | CETPGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL13005551 | 0.83 | CETP (0.35) | TAAR1CETPPYCR1TSHRGRIN2D | |
| SCHEMBL13005523 | 0.83 | TAAR1 (0.36) | TAAR1CETPPYCR1TSHRGRIN2D |
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 |