Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 14/20 | 0.45 |
| ▸ | BCHE | P06276 | 10/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873310 | 0.78 | KDM1A (0.42) | — | |
| SCHEMBL31094208 | 0.76 | CYP2A6 (0.49) | CYP2A6 | |
| SCHEMBL31094211 | 0.74 | NR2E1 (0.43) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL8393507 | 0.73 | NQO1 (0.67) | NQO1ACHEBCHECA12CA1 | |
| SCHEMBL29919905 | 0.73 | NQO1 (0.67) | NQO1ACHEBCHECA12CA1 | |
| SCHEMBL29367279 | 0.73 | MAPT (0.61) | NQO1ACHEBCHECA12CA1 | |
| SCHEMBL30373629 | 0.73 | MAPT (0.61) | NQO1ACHEBCHECA12CA1 | |
| SCHEMBL151449 | 0.73 | MAPT (0.61) | NQO1ACHEBCHECA12CA1 | |
| SCHEMBL357145 | 0.71 | CA1 (0.61) | NQO1CA12CA1CA2CA4 | |
| SCHEMBL31116611 | 0.71 | CA1 (0.61) | NQO1CA12CA1CA2CA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4154745-A | Isobenzofuran route to anthracycloquinones | RESEARCH CORPORATION (US) | 1979-05-15 | — | — | US | disclosed |
| US-4116981-A | 5,12-EPOXY-NAPHTHACENE-6,11-DIONE DERIVATIVES | Tsay, Yuh-Geng (TW) | 1978-09-26 | — | — | US | disclosed |