Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 5/20 | 0.54 |
| ▸ | POR | P16435 | 5/20 | 0.54 |
| ▸ | TDP2 | O95551 | 2/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 4/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10421261 | 0.93 | NQO1 (0.48) | NQO1PORTDP2NSD2HSP90AA1 | |
| SCHEMBL3420118 | 0.90 | NQO1 (0.50) | NQO1PORTDP2NSD2HSP90AA1 | |
| SCHEMBL5808549 | 0.84 | MAOA (0.56) | NQO1PORTDP2NSD2HSP90AA1 | |
| SCHEMBL30002616 | 0.84 | MAOA (0.56) | NQO1PORTDP2NSD2HSP90AA1 | |
| SCHEMBL1134711 | 0.82 | CYP3A4 (0.41) | NQO1PORMAOAGRIN2DGRIN3B | |
| SCHEMBL1863215 | 0.79 | IDO1 (0.48) | NQO1PORNSD2HSP90AA1MAOA | |
| SCHEMBL11350061 | 0.79 | AURKA (0.44) | NQO1PORTDP2NSD2HSP90AA1 | |
| SCHEMBL30003301 | 0.79 | IDO1 (0.48) | NQO1PORNSD2HSP90AA1MAOA | |
| SCHEMBL9269288 | 0.79 | ELANE (0.61) | TDP2NSD2MAOAMAOBELANE | |
| SCHEMBL28627095 | 0.77 | ELANE (0.65) | NQO1PORMAOAMAOBELANE |
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-5049236-A | Lignin derived quinonic compound mixtures useful for the delignification of cellulosic materials | INSTITUTE OF PAPER SCIENCE AND TECHNOLOGY, INC. (US) | 1991-09-17 | — | — | US | disclosed |
| US-5002634-A | Method for the delignification of wood pulp utilizing fused ring quinone compounds prepared from lignin or lignin derived substances | INSTITUTE OF PAPER SCIENCE AND TECHNOLOGY, INC. (US) | 1991-03-26 | — | — | US | disclosed |