Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL16239372 | 1.00 | ALDH1A1 (0.41) | ALDH1A1GAAPKMMEN1KMT2A | |
| SCHEMBL16239371 | 1.00 | ALDH1A1 (0.41) | ALDH1A1GAAPKMMEN1KMT2A | |
| SCHEMBL16254012 | 0.87 | CTSK (0.38) | ALDH1A1GAAPKMMEN1KMT2A | |
| SCHEMBL1709086 | 0.87 | CTSK (0.38) | ALDH1A1GAAPKMMEN1KMT2A | |
| SCHEMBL1699073 | 0.76 | CTSK (0.39) | MEN1KMT2AMAPTHTT | |
| SCHEMBL1282397 | 0.76 | MEN1 (0.36) | ALDH1A1GAAPKMMEN1KMT2A | |
| SCHEMBL1282541 | 0.76 | MEN1 (0.36) | ALDH1A1GAAPKMMEN1KMT2A | |
| SCHEMBL1283039 | 0.69 | CNR1 (0.38) | ALDH1A1MEN1KMT2AMAPTCYP2C19 | |
| SCHEMBL1283042 | 0.69 | CNR1 (0.38) | ALDH1A1MEN1KMT2AMAPTCYP2C19 | |
| SCHEMBL8918321 | 0.69 | KMT2A (0.37) | ALDH1A1MEN1KMT2AMAPTHPGD |
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 |