Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | COMT | P21964 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL20830749 | 0.86 | ESR1 (0.49) | ALDH1A1POLBAPAF1KDM4ECA9 | |
| SCHEMBL29832586 | 0.86 | ESR1 (0.49) | ALDH1A1POLBAPAF1KDM4ECA9 | |
| SCHEMBL20830460 | 0.86 | ESR1 (0.49) | ALDH1A1POLBAPAF1KDM4ECA9 | |
| SCHEMBL20830463 | 0.81 | RAB9A (0.56) | ALDH1A1POLBKDM4ECA9RAB9A | |
| SCHEMBL20830399 | 0.80 | CA12 (0.47) | CA9COMTCA12CA1CA2 | |
| SCHEMBL16965396 | 0.79 | BRD4 (0.40) | ALDH1A1POLBKDM4ECOMTRAB9A | |
| SCHEMBL11990862 | 0.77 | ALDH1A1 (0.70) | ALDH1A1POLBAPAF1KDM4ECA9 | |
| SCHEMBL18470167 | 0.76 | POLB (0.82) | ALDH1A1POLBAPAF1KDM4ECA9 | |
| SCHEMBL9638650 | 0.71 | ALDH1A1 (0.62) | ALDH1A1POLBAPAF1KDM4ECA9 | |
| SCHEMBL13533868 | 0.71 | ALDH1A1 (0.62) | ALDH1A1POLBAPAF1KDM4ECA9 |
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-2900239-B1 | DIHYDRO-6-AZAPHENALENE DERIVATIVES FOR THE TREATMENT OF CNS, OCULAR DISEASES AND RELATED DISORDERS | WARNER BABCOCK INST FOR GREEN CHEMISTRY LLC (US) | 2019-03-20 | — | — | EP | disclosed |