Known targets — ChEMBL curated mechanism
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4667681 | 0.94 | CYP19A1 (0.59) | CYP19A1EPHX1PKMHTTALDH1A1 | |
| SCHEMBL7166038 | 0.85 | NPC1 (0.39) | CYP19A1ALDH1A1SMN1; SMN2MAPTTDP1 | |
| SCHEMBL7163970 | 0.81 | LMNA (0.49) | PKMHTTALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL11418021 | 0.81 | CYP19A1 (0.73) | CYP19A1EPHX1PKMHTTALDH1A1 | |
| SCHEMBL11405969 | 0.79 | CYP19A1 (0.71) | CYP19A1EPHX1PKMHTTALDH1A1 | |
| SCHEMBL11407797 | 0.79 | CYP19A1 (0.71) | CYP19A1EPHX1PKMHTTALDH1A1 | |
| SCHEMBL10654259 | 0.79 | CYP19A1 (0.67) | CYP19A1EPHX1PKMHTTALDH1A1 | |
| SCHEMBL2129830 | 0.79 | CYP19A1 (0.67) | CYP19A1EPHX1PKMHTTALDH1A1 | |
| SCHEMBL4667767 | 0.78 | NPC1 (0.40) | CYP19A1ALDH1A1SMN1; SMN2MAPTTDP1 | |
| SCHEMBL29358184 | 0.77 | CYP19A1 (0.71) | CYP19A1EPHX1PKMHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6565614-B1 | Mixture containing quaternary ammonium compound | L'OREAL (FR) | 2003-05-20 | — | — | US | disclosed |