Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 7/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971060 | 1.00 | HTT (0.39) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7971053 | 1.00 | HTT (0.39) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7976044 | 0.79 | HTR2A (0.41) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7976045 | 0.79 | HTR2A (0.41) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7976048 | 0.79 | HTR2A (0.41) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7969534 | 0.78 | HTR2A (0.59) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9191563 | 0.78 | HTR2A (0.59) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9191573 | 0.78 | HTR2A (0.59) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11139872 | 0.75 | HTT (0.42) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8914129 | 0.70 | HTR2A (0.41) | HTTCYP1A2CYP3A4CYP2D6CYP2C9 |
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-6291520-B1 | INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES | PFIZER | 2001-09-18 | — | — | US | disclosed |
| EP-0559743-B1 | NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE | PFIZER (US) | 1995-03-08 | — | — | EP | disclosed |