Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28066064 | 0.90 | IDO1 (0.47) | IDO1AKR1C3AKR1C1CYP2C9ESR2 | |
| SCHEMBL14587514 | 0.85 | SIGMAR1 (0.60) | IDO1CYP2C9SIGMAR1ALDH1A1LMNA | |
| SCHEMBL5761802 | 0.83 | IDO1 (0.46) | IDO1AKR1C3AKR1C1CYP2C9ESR2 | |
| SCHEMBL4976344 | 0.83 | IDO1 (0.46) | IDO1AKR1C3AKR1C1CYP2C9ESR2 | |
| SCHEMBL27809490 | 0.83 | IDO1 (0.49) | IDO1CYP2C9ESR2NPC1RAB9A | |
| SCHEMBL14379101 | 0.82 | KLK7 (0.46) | IDO1CYP2C9ALDH1A1LMNAMAPT | |
| SCHEMBL17025384 | 0.79 | ESR2 (0.70) | IDO1AKR1C3AKR1C1CYP2C9ESR2 | |
| SCHEMBL17025385 | 0.79 | ESR2 (0.70) | IDO1AKR1C3AKR1C1CYP2C9ESR2 | |
| SCHEMBL766285 | 0.79 | AKR1C3 (0.53) | IDO1AKR1C3AKR1C1DGAT1 | |
| Bicarbonate SCHEMBL7573346 | 0.78 | AKR1C3 (0.63) | IDO1AKR1C3AKR1C1SIGMAR1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107698594-A | Indoleamine 2,3 dioxygenase inhibitors and its purposes in pharmacy | 苏州国匡医药科技有限公司 | 2018-02-16 | — | — | CN | disclosed |