Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10474946 | 0.74 | CPA1 (0.47) | CYP1A2ALDH1A1 | |
| SCHEMBL266009 | 0.73 | MEN1 (0.42) | MAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL16239075 | 0.72 | CYP19A1 (0.39) | MAPTHPGDCYP1A2KMT2AMEN1 | |
| SCHEMBL27653040 | 0.70 | LOXL2 (0.46) | ALDH1A1 | |
| SCHEMBL2037536 | 0.70 | ALDH1A1 (0.49) | LDHAMAPTKMT2AMEN1ALDH1A1 | |
| SCHEMBL27968775 | 0.70 | CA2 (0.55) | MAPTHTR2AALDH1A1 | |
| SCHEMBL27618563 | 0.68 | GABRA1 (0.52) | LDHAHTR2ACYP3A4 | |
| SCHEMBL27042690 | 0.68 | TAAR1 (0.58) | HTR2A | |
| SCHEMBL28046603 | 0.68 | GSR (0.42) | MAPTHPGDCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16239369 | 0.68 | ALDH1A1 (0.41) | MAPTHPGDCYP1A2CYP3A4CYP2D6 |
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-8889863-B2 | Stereoselective methods, catalysts and intermediates for the synthesis of (−)-Nutlin-3 and related compounds | VANDERBILT UNIVERSITY (US) | 2014-11-18 | — | — | US | disclosed |