Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD51 | Q06609 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LDHA | P00338 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13727185 | 0.90 | CYP2A6 (0.58) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL13727413 | 0.90 | CYP2A6 (0.58) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4088289 | 0.90 | CYP2A6 (0.58) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15393704 | 0.88 | KDM4E (0.56) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL13726314 | 0.88 | KDM4E (0.56) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4098724 | 0.88 | KDM4E (0.56) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL13727433 | 0.88 | KDM4E (0.56) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4104958 | 0.88 | KDM4E (0.56) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8191361 | 0.88 | CYP2A6 (0.54) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL13726455 | 0.87 | CYP11B1 (0.56) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187928-B1 | TREATING FUNGAL DISEASES | THE ROCKEFELLER UNIVERSITY | 2001-02-13 | — | — | US | disclosed |
| US-6087510-A | Method of use of imidazolium cations | THE ROCKEFELLER UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| US-5874587-A | FLUORESCENCE | THE ROCKEFELLER UNIVERSITY (US) | 1999-02-23 | — | — | US | disclosed |
| US-4386149-A | BALLASTED DYE RESIDUE | CIBA-GEIGY AG (CH) | 1983-05-31 | — | — | US | disclosed |
| US-4269928-A | RELEASE OF A DYE FROM A DYE-BALLAST COMPOUND BY REDUCTIVE CLEAVAGE UNDER ACIDIC CONDITIONS; MORDANTS; SILVER HALIDE EMULSIONS RECOVERED | CIBA-GEIGY AKTIENGESELLSCHAFT (CH) | 1981-05-26 | — | — | US | disclosed |