Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12260604 | 0.86 | CYP1A2 (0.42) | NQO1TDP1ALDH1A1FFAR1FFAR4 | |
| SCHEMBL16856682 | 0.85 | LTA4H (0.43) | TSHRNPC1MEN1KMT2ACYP3A4 | |
| SCHEMBL1547853 | 0.81 | NQO1 (0.56) | NQO1TSHRTDP1NPC1MEN1 | |
| SCHEMBL2010983 | 0.80 | NQO1 (0.50) | NQO1TSHRTDP1NPC1MEN1 | |
| SCHEMBL10188233 | 0.79 | SYK (0.40) | TDP1FFAR1KDM4ECYP1A2 | |
| SCHEMBL10388263 | 0.79 | NQO1 (0.54) | NQO1TSHRTDP1NPC1MEN1 | |
| SCHEMBL10187093 | 0.78 | NQO1 (0.52) | NQO1TSHRTDP1NPC1MEN1 | |
| SCHEMBL14077246 | 0.78 | NQO1 (0.52) | NQO1TSHRTDP1NPC1MEN1 | |
| SCHEMBL2053269 | 0.78 | NQO1 (0.52) | NQO1TSHRTDP1NPC1MEN1 | |
| SCHEMBL14220258 | 0.78 | NQO1 (0.52) | NQO1TSHRTDP1NPC1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |