Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.37 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22256294 | 0.82 | MEN1 (0.38) | KMT2AMEN1CYP3A4CYP2C9APP | |
| SCHEMBL22256292 | 0.80 | TGFBR1 (0.38) | KMT2AMEN1CYP3A4CYP2C9HSP90AA1 | |
| SCHEMBL22229749 | 0.79 | CYP3A4 (0.40) | KMT2AMEN1CYP3A4CYP2C9HSP90AA1 | |
| SCHEMBL16772616 | 0.77 | MEN1 (0.64) | KMT2AMEN1ESR2 | |
| SCHEMBL4127678 | 0.74 | MEN1 (0.56) | KMT2AMEN1APPESR2ESR1 | |
| SCHEMBL4123679 | 0.72 | KMT2A (0.54) | KMT2AMEN1GAAMAPT | |
| SCHEMBL14450977 | 0.70 | MEN1 (1.00) | KMT2AMEN1 | |
| SCHEMBL22229681 | 0.70 | MEN1 (0.61) | KMT2AMEN1 | |
| SCHEMBL1044154 | 0.69 | MEN1 (0.38) | KMT2AMEN1GAAMAPTESR2 | |
| SCHEMBL9000030 | 0.69 | NUDT1 (0.38) | KMT2ACYP3A4CYP2C9HSP90AA1GAA |
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-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 |