Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 6/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6071403 | 0.77 | GSK3B (0.52) | CYP17A1CYP1A2RAB9ADPP4NPC1 | |
| SCHEMBL1269006 | 0.77 | CYP17A1 (0.49) | CYP17A1CYP1A2IRAK4FFAR4SCN9A | |
| SCHEMBL6344984 | 0.75 | CYP17A1 (0.55) | CYP17A1CYP1A2RAB9ADPP4NPC1 | |
| SCHEMBL30716967 | 0.73 | CYP17A1 (0.64) | CYP17A1CYP1A2IRAK4FFAR4SCN9A | |
| SCHEMBL26970885 | 0.73 | CYP17A1 (0.64) | CYP17A1CYP1A2IRAK4FFAR4SCN9A | |
| SCHEMBL3153838 | 0.72 | RAB9A (0.47) | CYP17A1CYP1A2FFAR4RAB9AHPGD | |
| SCHEMBL31020506 | 0.71 | IRAK4 (0.57) | CYP17A1CYP1A2IRAK4FFAR4RAB9A | |
| SCHEMBL12075537 | 0.71 | IRAK4 (0.57) | CYP17A1CYP1A2IRAK4FFAR4RAB9A | |
| SCHEMBL15404558 | 0.71 | CYP17A1 (0.52) | CYP17A1CYP1A2IRAK4FFAR4RAB9A | |
| SCHEMBL17873823 | 0.69 | ADORA2A (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4472387-A | 5-HYDROXYTRYPTOPHAN OR ESTER, NITROGEN HETEROCYCLE | PANMEDICA S.A. (FR) | 1984-09-18 | — | — | US | disclosed |