Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30186719 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1 | |
| SCHEMBL268735 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1 | |
| SCHEMBL29391827 | 0.85 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1 | |
| SCHEMBL9765573 | 0.81 | AKR1B1 (0.47) | ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1 | |
| SCHEMBL9765502 | 0.81 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1 | |
| SCHEMBL9765525 | 0.81 | AKR1B1 (0.49) | ALDH1A1HSD17B10HIF1ACYP1B1AKR1B1 | |
| SCHEMBL4853966 | 0.80 | ALDH1A1 (0.89) | ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6 | |
| Dibenz[A,H]Anthracene SCHEMBL8873918 | 0.80 | ALDH1A1 (0.89) | ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6 | |
| SCHEMBL29352401 | 0.80 | ALDH1A1 (0.89) | ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6 | |
| SCHEMBL55324 | 0.80 | ALDH1A1 (0.89) | ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6 |
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-2009091324-A1 | QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS | CHATTOPADHYAYA JYOTI (SE) | 2009-07-23 | — | — | WO | disclosed |