Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2488716 | 0.74 | CYP2B6 (0.42) | CYP2B6ALDH1A1KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL2494378 | 0.73 | CYP2B6 (0.46) | CYP2B6ALDH1A1KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL14354526 | 0.72 | CYP2B6 (0.46) | CYP2B6ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL14813821 | 0.71 | SMN1; SMN2 (0.38) | CYP2B6ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL30634176 | 0.70 | TAAR1 (0.52) | ALDH1A1TAAR1CYP2D6CYP1A2TDP1 | |
| SCHEMBL10608288 | 0.70 | TAAR1 (0.52) | ALDH1A1TAAR1CYP2D6CYP1A2TDP1 | |
| SCHEMBL2494585 | 0.69 | CYP2B6 (0.50) | CYP2B6ALDH1A1KDM4ECYP2D6CYP2C19 | |
| SCHEMBL14354381 | 0.69 | CYP2B6 (0.39) | CYP2B6ALDH1A1KDM4ECYP2D6TDP1 | |
| Hydrochloric Acid SCHEMBL28432309 | 0.69 | TAAR1 (0.50) | ALDH1A1TAAR1CYP2D6CYP1A2TDP1 | |
| SCHEMBL2491954 | 0.68 | CYP2B6 (0.53) | CYP2B6ALDH1A1KDM4ECYP2D6CYP2C19 |
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-2041082-B1 | PYRROLIDINE DERIVATIVES HAVING ACTIVITY AT THE GLYT1 TRANSPORTER | GLAXO GROUP LTD (GB) | 2009-09-30 | — | — | EP | disclosed |