Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | HTR2C | P28335 | 7/20 | 0.44 |
| ▸ | HTR2B | P41595 | 5/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.40 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.40 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL15202987 | 0.92 | HTR2C (0.51) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL982437 | 0.90 | CHRM2 (0.49) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL5872278 | 0.88 | HTR2C (0.49) | CHRM4CHRM1HTR2CHTR2BHTR2A | |
| SCHEMBL10063157 | 0.82 | CHRM2 (0.56) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10063162 | 0.80 | OPRM1 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10063525 | 0.78 | BACE1 (0.55) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3011324 | 0.77 | HTR2A (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL26774954 | 0.77 | PRKDC (0.62) | — | |
| Hydrochloric Acid SCHEMBL3022954 | 0.76 | HTR2A (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL828730 | 0.76 | OPRM1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012020813-A1 | FUSED-RING PYRROLIDINE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |