Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.49 |
| ▸ | RAD51 | Q06609 | 3/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9137297 | 0.84 | CYP2A6 (0.58) | CYP2A6RAD51NPY5RMAP2K4CYP3A4 | |
| SCHEMBL13727035 | 0.76 | MAPK14 (0.55) | CYP2A6CYP3A4CYP1A2ALDH1A1KDM4E | |
| SCHEMBL3900693 | 0.75 | CYP2A6 (0.51) | CYP2A6NPY5RMAP2K4CYP3A4CYP1A2 | |
| SCHEMBL13727004 | 0.74 | MAPK14 (0.53) | CYP2A6NPY5RCYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL7964504 | 0.73 | RAD51 (0.60) | CYP2A6RAD51NPY5RCYP3A4CYP1A2 | |
| SCHEMBL7964246 | 0.72 | MAPK14 (0.58) | CYP2A6RAD51CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL3722967 | 0.72 | PDE10A (0.70) | CYP2A6RAD51NPY5RCYP3A4CYP1A2 | |
| SCHEMBL13910994 | 0.72 | CYP2A6 (0.70) | CYP2A6RAD51NPY5RCYP3A4CYP1A2 | |
| SCHEMBL7965315 | 0.72 | CYP11B1 (0.59) | CYP2A6RAD51NPY5RCYP3A4CYP1A2 | |
| SCHEMBL8332439 | 0.71 | KDM4E (0.54) | CYP2A6RAD51NPY5RMAP2K4CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |