Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.59 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 5/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13435561 | 0.81 | AAK1 (0.63) | AAK1IDO1GRIN1GRIN2BCYP1A2 | |
| SCHEMBL23005801 | 0.81 | HSD17B10 (0.51) | AAK1CHEK2IDO1GRIN1GRIN2B | |
| SCHEMBL868184 | 0.80 | DDAH1 (0.59) | GRIN1GRIN2BRAD52UBE2NCYP1A2 | |
| SCHEMBL23005583 | 0.80 | AAK1 (0.57) | AAK1IDO1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21034171 | 0.77 | MEN1 (0.57) | AAK1IDO1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15947594 | 0.76 | TDP1 (0.61) | RAD52UBE2NCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8596529 | 0.76 | KDM4E (0.55) | GRIN1GRIN2BRAD52UBE2NCYP1A2 | |
| SCHEMBL6759257 | 0.76 | IDO1 (0.68) | AAK1IDO1GRIN1GRIN2BNPC1 | |
| SCHEMBL21034524 | 0.74 | AAK1 (0.51) | AAK1IDO1GRIN1GRIN2BCYP1A2 | |
| SCHEMBL4111972 | 0.74 | IDO1 (0.70) | AAK1IDO1GRIN1GRIN2BNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021027724-A1 | IMMUNOMODULATOR | 成都先导药物开发股份有限公司 | 2021-02-18 | — | — | WO | disclosed |