Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | AGXT | P21549 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL453913 | 0.83 | IDO1 (0.48) | CYP1A2CYP2C9CYP2C19IDO1HSD17B10 | |
| SCHEMBL4465280 | 0.81 | ESR1 (0.38) | CYP2C19IDO1KMT2AMEN1ALDH1A1 | |
| SCHEMBL548628 | 0.78 | LMNA (0.50) | CYP1A2IDO1HSD17B10KMT2AMEN1 | |
| SCHEMBL9635796 | 0.78 | LMNA (0.50) | CYP1A2IDO1HSD17B10KMT2AMEN1 | |
| SCHEMBL9637022 | 0.78 | LMNA (0.50) | CYP1A2IDO1HSD17B10KMT2AMEN1 | |
| SCHEMBL4391356 | 0.77 | MAOB (0.48) | CYP1A2IDO1HSD17B10KMT2AMEN1 | |
| SCHEMBL4615315 | 0.76 | HSD17B10 (0.67) | CYP1A2HSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL5320429 | 0.74 | ALDH1A1 (0.64) | HSD17B10KMT2AMEN1ALDH1A1BCHE | |
| SCHEMBL11568578 | 0.74 | TBXA2R (0.50) | HSD17B10ALDH1A1CA2LMNATSHR | |
| SCHEMBL10923300 | 0.73 | CA2 (0.48) | CYP2C9CYP2C19KMT2AMEN1ALDH1A1 |
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-2007114916-A2 | ARYLBENZYLPIPERIDINE COMPOUNDS | H. LUNDBECK A/S (DK) | 2007-10-11 | — | — | WO | disclosed |