Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25920488 | 0.84 | MEN1 (0.50) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL202718 | 0.81 | MEN1 (0.61) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL24347533 | 0.80 | ALOX12 (0.52) | CYP2C9MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL27369045 | 0.78 | ALDH1A1 (0.61) | MEN1KMT2AALDH1A1HPGDRAB9A | |
| SCHEMBL20825142 | 0.77 | MEN1 (0.55) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL14355138 | 0.76 | MEN1 (0.59) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL196487 | 0.76 | KMT2A (0.70) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL18833760 | 0.74 | MEN1 (0.51) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL11998383 | 0.74 | CA1 (0.59) | MEN1KMT2AALDH1A1SMN1; SMN2ALOX12 | |
| SCHEMBL15514528 | 0.74 | MEN1 (0.73) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970303-B3 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2018-08-01 | — | — | EP | disclosed |