Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14745874 | 0.97 | ALDH1A1 (0.37) | CYP2A6MAOAMAOBKMT2AMEN1 | |
| SCHEMBL14745760 | 0.75 | ALDH1A1 (0.37) | CYP2A6MAOAMAOBSMN1; SMN2TDP1 | |
| SCHEMBL2736592 | 0.71 | CNR2 (0.47) | TDP1L3MBTL1ALDH1A1 | |
| Trimethylammonium SCHEMBL27854577 | 0.66 | ALDH1A1 (0.48) | KMT2AMEN1ATMMAPTRAB9A | |
| SCHEMBL17780936 | 0.65 | KMT2A (0.52) | KMT2AMEN1MAPTSMN1; SMN2NOTUM | |
| SCHEMBL11007908 | 0.65 | HSP90AA1 (0.51) | CYP2A6MAOAMAOBKMT2AMEN1 | |
| SCHEMBL9334779 | 0.64 | TSHR (0.40) | KMT2AMAPTRAB9ASMN1; SMN2SRD5A1 | |
| SCHEMBL26088272 | 0.64 | CNR2 (0.44) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL27590115 | 0.63 | CYP2A6 (0.54) | CYP2A6MAOAMAOBKMT2AMEN1 | |
| Trimethylammonium SCHEMBL27879967 | 0.63 | MAOA (0.84) | CYP2A6MAOAMAOBMAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2750678-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC Therapeutics, Inc. (US) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013033228-A1 | ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE | PTC THERAPEUTICS, INC. (US) | 2013-03-07 | — | — | WO | disclosed |