Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HPGDS | O60760 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5236897 | 0.87 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5235199 | 0.85 | GAA (0.53) | ALDH1A1TSHRAKR1C3MEN1KMT2A | |
| SCHEMBL5232433 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRAKR1C3LMNAKMT2A | |
| SCHEMBL3252759 | 0.84 | PKM (0.78) | ALDH1A1TSHRPKMAKR1C3LMNA | |
| SCHEMBL5234580 | 0.84 | GAA (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5237576 | 0.84 | KMT2A (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL5239570 | 0.84 | TACR3 (0.52) | CYP2C9TSHRLMNAMEN1KMT2A | |
| SCHEMBL5233076 | 0.82 | GAA (0.50) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL5235922 | 0.82 | HTR1A (0.51) | ALDH1A1KMT2APOLB | |
| SCHEMBL5237366 | 0.81 | AKR1C3 (0.52) | ALDH1A1AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1701946-B1 | DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME | SANOFI AVENTIS (FR) | 2007-12-19 | — | — | EP | claimed |