Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4776024 | 0.90 | POLB (0.38) | TSHRALDH1A1POLBKMT2AMAOB | |
| SCHEMBL4769786 | 0.89 | LMNA (0.41) | ALDH1A1KMT2AMAOBBRD9CYP11B2 | |
| SCHEMBL4520689 | 0.84 | MAOB (0.37) | TSHRALDH1A1POLBKMT2AMAOB | |
| SCHEMBL4772467 | 0.82 | MAT2A (0.40) | TSHRALDH1A1POLBKMT2AMAOB | |
| SCHEMBL4767309 | 0.81 | BRD9 (0.35) | BRD9MAPTTP53 | |
| SCHEMBL4519193 | 0.79 | PDE4B (0.39) | TSHRALDH1A1POLBKMT2AMAOB | |
| SCHEMBL4778022 | 0.78 | P2RX7 (0.39) | ALDH1A1KMT2AMAOBLMNATP53 | |
| SCHEMBL4520494 | 0.78 | MAOB (0.38) | TSHRALDH1A1POLBKMT2AMAOB | |
| SCHEMBL4772515 | 0.78 | KMT2A (0.38) | TSHRPOLBKMT2ABRD9F2RL3 | |
| SCHEMBL4521828 | 0.76 | MAT2A (0.40) | TSHRALDH1A1POLBKMT2AMAOB |
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-1881988-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LTD. (GB) | 2008-01-30 | — | — | EP | disclosed |
| WO-2006122200-A1 | 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) | MERCK SHARP & DOHME LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |