Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12897453 | 1.00 | KDM4E (0.44) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12896531 | 0.88 | KDM4E (0.44) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12897520 | 0.88 | PKM (0.45) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12896832 | 0.88 | KDM4E (0.44) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12896575 | 0.88 | PKM (0.45) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12897348 | 0.88 | KDM4E (0.44) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL1266185 | 0.88 | KDM4E (0.44) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL1266188 | 0.88 | KDM4E (0.44) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12897098 | 0.88 | KDM4E (0.44) | KDM4EALDH1A1MEN1KMT2AHTT | |
| SCHEMBL12896483 | 0.85 | KDM4E (0.50) | KDM4EALDH1A1MEN1KMT2AHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7880007-B2 | such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |
| US-7880007-B2 | such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |