Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10156631 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MCHR1EPHX1EPHX2SMN1; SMN2 | |
| SCHEMBL28778123 | 0.83 | MCHR1 (0.47) | ALDH1A1ATMMCHR1EPHX1EPHX2 | |
| SCHEMBL10156614 | 0.83 | MCHR1 (0.47) | ALDH1A1ATMMCHR1EPHX1EPHX2 | |
| SCHEMBL10194378 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TP53MCHR1TSHREPHX1 | |
| SCHEMBL27863364 | 0.78 | ALDH1A1 (0.54) | LMNAALDH1A1ATMTP53TDP1 | |
| SCHEMBL10156619 | 0.76 | ALDH1A1 (0.52) | ALDH1A1ATMTP53MCHR1EPHX1 | |
| SCHEMBL962569 | 0.75 | TP53 (0.43) | LMNAALDH1A1TP53TSHREPHX1 | |
| SCHEMBL12225575 | 0.75 | TP53 (0.43) | LMNAALDH1A1TP53TSHREPHX1 | |
| SCHEMBL962299 | 0.75 | TP53 (0.43) | LMNAALDH1A1TP53TSHREPHX1 | |
| SCHEMBL5344959 | 0.74 | TP53 (0.50) | LMNAALDH1A1TP53TSHREPHX1 |
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-2364295-B1 | 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | disclosed |