Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | PRKCA | P17252 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CDK4 | P11802 | 5/20 | 0.51 |
| ▸ | CCND1 | P24385 | 5/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.48 |
| ▸ | PRKCG | P05129 | 2/20 | 0.48 |
| ▸ | PRKCB | P05771 | 2/20 | 0.48 |
| ▸ | PRKACA | P17612 | 2/20 | 0.48 |
| ▸ | PRKACG | P22612 | 2/20 | 0.48 |
| ▸ | PRKACB | P22694 | 2/20 | 0.48 |
| ▸ | PRKCH | P24723 | 2/20 | 0.48 |
| ▸ | PRKCI | P41743 | 2/20 | 0.48 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8313203 | 0.80 | NQO1 (1.00) | NQO1ALDH1A1KDM4EPRKCAMEN1 | |
| SCHEMBL13431714 | 0.77 | NQO1 (0.73) | NQO1ALDH1A1KDM4EHSD17B10PRKCA | |
| SCHEMBL20624192 | 0.74 | PRKD3 (0.61) | NQO1HSD17B10PRKCACDK4CCND1 | |
| SCHEMBL8324352 | 0.72 | NQO1 (0.74) | NQO1KDM4EPRKCAMEN1KMT2A | |
| SCHEMBL9374032 | 0.72 | SIRT2 (0.66) | ALDH1A1KDM4EHSD17B10PRKCAMEN1 | |
| SCHEMBL8317372 | 0.71 | PRKCA (1.00) | NQO1PRKCAMEN1KMT2ACDK4 | |
| SCHEMBL5438544 | 0.71 | PRKCA (0.71) | NQO1PRKCAMEN1KMT2ACDK4 | |
| SCHEMBL4095113 | 0.71 | ALDH1A1 (0.64) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8319377 | 0.71 | SIRT2 (0.64) | ALDH1A1KDM4EHSD17B10PRKCAMEN1 | |
| SCHEMBL30711693 | 0.71 | ALDH1A1 (1.00) | ALDH1A1KDM4EHSD17B10MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630242-B1 | FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY | WELLCOME FOUND (GB) | 1999-01-20 | — | — | EP | claimed |
| EP-0630242-B1 | FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY | WELLCOME FOUND (GB) | 1999-01-20 | — | — | EP | disclosed |
| US-5547976-A | VIRICIDES, HERPES VIRUS, CYTOMEGALOVIRUS; CARDIOVASCULAR DISORDERS | BURROUGHS WELLCOME CO. (US) | 1996-08-20 | — | — | US | disclosed |