Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25195073 | 0.82 | KMT2A (0.54) | MEN1KMT2ACYP3A4CYP2C9APP | |
| SCHEMBL22256347 | 0.76 | CYP3A4 (0.32) | CYP3A4CYP2C9APP | |
| SCHEMBL22256292 | 0.68 | TGFBR1 (0.38) | MEN1KMT2ACYP3A4CYP2C9APP | |
| SCHEMBL22229749 | 0.67 | CYP3A4 (0.40) | MEN1KMT2ACYP3A4CYP2C9APP | |
| SCHEMBL16772616 | 0.63 | MEN1 (0.64) | MEN1KMT2A | |
| SCHEMBL4127678 | 0.61 | MEN1 (0.56) | MEN1KMT2AAPP | |
| SCHEMBL1044154 | 0.59 | MEN1 (0.38) | MEN1KMT2A | |
| SCHEMBL4123679 | 0.59 | KMT2A (0.54) | MEN1KMT2A | |
| SCHEMBL9000030 | 0.58 | NUDT1 (0.38) | KMT2ACYP3A4CYP2C9APP | |
| SCHEMBL3919336 | 0.57 | MEN1 (0.51) | MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-20200234798-A1 | EXTRAPOLATIVE PREDICTION OF ENANTIOSELECTIVITY ENABLED BY COMPUTER-DRIVEN WORKFLOW, NEW MOLECULAR REPRESENTATIONS AND MACHINE LEARNING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-07-23 | — | — | US | disclosed |