Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.58 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21174619 | 0.87 | CYP19A1 (0.47) | MAPK14RAD51CYP2A6ALDH1A1KDM4E | |
| SCHEMBL21174590 | 0.87 | RAD51 (0.48) | MAPK14RAD51CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL29516689 | 0.83 | MAPK14 (0.63) | MAPK14ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL284971 | 0.83 | MAPK14 (0.63) | MAPK14ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL7964504 | 0.83 | RAD51 (0.60) | MAPK14RAD51CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL14582741 | 0.83 | MAPK14 (0.49) | MAPK14RAD51CYP2A6LCKKDM4E | |
| Bromide SCHEMBL28426843 | 0.81 | MAPK14 (0.61) | MAPK14ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL13910994 | 0.78 | CYP2A6 (0.70) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8191361 | 0.76 | CYP2A6 (0.54) | RAD51CYP2A6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL284334 | 0.75 | MAPK14 (0.88) | MAPK14BCHEACHE |
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 |