Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | CYBB | P04839 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2575989 | 0.85 | IDO1 (0.59) | IDO1AKR1B1HSPA5TAAR1TYR | |
| SCHEMBL10478996 | 0.83 | AKR1B1 (0.53) | IDO1AKR1B1HSPA5TAAR1TYR | |
| SCHEMBL1011357 | 0.80 | IDO1 (0.57) | IDO1AKR1B1HSPA5TAAR1TYR | |
| SCHEMBL27583409 | 0.80 | MAOB (0.47) | TAAR1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL962436 | 0.79 | IDO1 (0.47) | IDO1AKR1B1HSPA5TYRKEAP1 | |
| SCHEMBL5932257 | 0.79 | IDO1 (0.55) | IDO1AKR1B1HSPA5TAAR1TYR | |
| SCHEMBL1011358 | 0.79 | AKR1B1 (0.57) | IDO1AKR1B1HSPA5TAAR1TYR | |
| SCHEMBL9855769 | 0.78 | IDO1 (0.55) | IDO1AKR1B1HSPA5TAAR1TYR | |
| SCHEMBL11064859 | 0.77 | IDO1 (0.53) | IDO1AKR1B1HSPA5TAAR1TYR | |
| SCHEMBL5933691 | 0.77 | IDO1 (0.53) | IDO1AKR1B1HSPA5TAAR1TYR |
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-2266954-A1 | Novel bifunctional chelating compounds containing hydroxamic acid residues | Draximage, Inc. (CA) | 2010-12-29 | — | — | EP | disclosed |