Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | FASN | P49327 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2474256 | 0.73 | CYP3A4 (0.56) | FASNCYP3A4MEN1KMT2AHPGD | |
| SCHEMBL278519 | 0.68 | NQO1 (0.56) | NQO1CYP3A4MEN1KMT2AHPGD | |
| SCHEMBL278516 | 0.67 | NQO1 (1.00) | NQO1FASNCYP3A4MEN1KMT2A | |
| SCHEMBL5173533 | 0.65 | CYP3A4 (0.48) | FASNCYP3A4MEN1KMT2AHPGD | |
| SCHEMBL31738485 | 0.64 | CYP3A4 (0.67) | FASNCYP3A4MEN1KMT2AHPGD | |
| Phloroglucinol SCHEMBL14973335 | 0.64 | BACE1 (0.61) | NQO1FASNCYP3A4MEN1KMT2A | |
| SCHEMBL9775389 | 0.62 | CYP3A4 (0.35) | CYP3A4HPGD | |
| SCHEMBL11054505 | 0.62 | HSD17B10 (0.41) | CYP3A4HPGDHDAC1LCKCA12 | |
| SCHEMBL441865 | 0.61 | PARP1 (0.58) | FASNCYP3A4PARP10LCKNQO2 | |
| SCHEMBL7530230 | 0.60 | CYP3A4 (0.56) | CYP3A4MEN1KMT2AHPGDACHE |
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-6288265-B1 | HYDROXYBENZOIC ACID OR HYDROXYBENZAMIDE DERIVATIVES | NATIONAL SCIENCE COUNCIL (TW) | 2001-09-11 | — | — | US | disclosed |
| US-6121255-A | 7-(PHLOROGLUCIDAMIDO)CEPHALOSPORINS OR CEPHALOSPORIN 3'-PHLOROGLUCIDE ESTER ANTIBIOTICS | NATIONAL SCIENCE COUNCIL (TW) | 2000-09-19 | — | — | US | disclosed |