Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6784226 | 0.95 | MAPT (0.47) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL6778487 | 0.91 | MAPT (0.46) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL6776743 | 0.89 | MAPT (0.43) | MAPTALDH1A1TP53LMNACYP1A2 | |
| Trifluoromethanesulfonic Acid SCHEMBL6779543 | 0.88 | MAPT (0.44) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL6775529 | 0.82 | ALDH1A1 (0.42) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL6784650 | 0.82 | MAPT (0.40) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL6780533 | 0.82 | KMT2A (0.43) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL6778787 | 0.81 | MAPT (0.39) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL450797 | 0.81 | ACHE (0.52) | MAPTALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL2901788 | 0.81 | ACHE (0.52) | MAPTALDH1A1TP53LMNACYP1A2 |
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-6770780-B1 | QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS | JSR CORPORATION (JP) | 2004-08-03 | — | — | US | disclosed |
| EP-1231205-A1 | VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS | JSR Corporation (JP) | 2002-08-14 | — | — | EP | disclosed |