Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MLNR | O43193 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21568741 | 0.97 | CYP2D6 (0.52) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL2279513 | 0.94 | CYP2D6 (0.43) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL27663525 | 0.94 | CYP2D6 (0.43) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL27577662 | 0.94 | CYP2D6 (0.43) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL27874512 | 0.84 | CYP2D6 (0.47) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL20833451 | 0.84 | CYP2D6 (0.42) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL26725697 | 0.84 | CYP2D6 (0.42) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL23585075 | 0.82 | CYP2D6 (0.50) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL11191021 | 0.82 | CYP2D6 (0.45) | CYP2D6MEN1LMNATP53KMT2A | |
| SCHEMBL10955098 | 0.82 | CYP2D6 (0.50) | CYP2D6MEN1LMNATP53KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101305009-B | Aza-substituted spirocyclic derivatives | MSD KK | 2012-01-11 | — | — | CN | disclosed |
| CN-101056861-B | Carbamoyl-substituted spiro derivatives | BANYU PHARMA CO LTD | 2011-04-06 | — | — | CN | disclosed |
| CN-101305009-A | Aza-substituted spirocyclic derivatives | BANYU PHARMA CO LTD (JP) | 2008-11-12 | — | — | CN | disclosed |
| CN-101056861-A | Carbamoyl-substituted spiro derivatives | BANYU PHARMA CO LTD (JP) | 2007-10-17 | — | — | CN | disclosed |
| US-6221865-B1 | INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. | UNIVERSITY OF PITTSBURGH | 2001-04-24 | — | — | US | disclosed |