Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenylbutazone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.68 |
| ▸ | CES2 | O00748 | 10/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | LOX | P28300 | 1/20 | 0.40 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.40 |
| ▸ | LOXL4 | Q96JB6 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Oxyphenbutazone Anhydrous SCHEMBL28086649 | 0.95 | LMNA (0.77) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Mofebutazone SCHEMBL27513530 | 0.94 | ALDH1A1 (0.57) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Phenylbutazone SCHEMBL8005041 | 0.84 | RAB9A (0.82) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Phenylbutazone SCHEMBL3632 | 0.84 | RAB9A (0.82) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Phenylbutazone SCHEMBL10913190 | 0.82 | RAB9A (0.80) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Phenylbutazone SCHEMBL7715162 | 0.82 | RAB9A (0.80) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Phenylbutazone SCHEMBL2874252 | 0.82 | RAB9A (0.80) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Phenylbutazone SCHEMBL21694456 | 0.82 | RAB9A (0.80) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Phenylbutazone SCHEMBL2122724 | 0.82 | RAB9A (0.80) | ALDH1A1CYP3A4LMNAPTGS1RAB9A | |
| Oxyphenbutazone Anhydrous SCHEMBL25856 | 0.81 | LMNA (1.00) | ALDH1A1CYP3A4LMNAPTGS1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |