Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8961365 | 0.90 | DHFR (0.39) | DHFRMAOAMAOBGSK3BADK | |
| SCHEMBL29122 | 0.89 | CYP2A6 (0.41) | MAOACYP1A2CYP2A6ALDH1A1DNMT1 | |
| SCHEMBL31462816 | 0.89 | CYP2A6 (0.41) | MAOACYP1A2CYP2A6ALDH1A1DNMT1 | |
| SCHEMBL29378690 | 0.89 | CYP2A6 (0.41) | MAOACYP1A2CYP2A6ALDH1A1DNMT1 | |
| SCHEMBL23943725 | 0.88 | CYP2A6 (0.38) | DHFRCYP1A2CYP2A6ALDH1A1DNMT1 | |
| SCHEMBL2949327 | 0.88 | DHFR (0.40) | DHFRMAOAMAOBGSK3BADK | |
| SCHEMBL28433701 | 0.87 | CYP2A6 (0.40) | MAOACYP1A2CYP2A6ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL5566890 | 0.85 | DHFR (0.38) | DHFRMAOAMAOBGSK3BADK | |
| SCHEMBL6012740 | 0.84 | DHFR (0.38) | DHFRMAOAMAOBGSK3BADK | |
| SCHEMBL29743080 | 0.84 | DHFR (0.38) | DHFRMAOAMAOBGSK3BADK |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611819-A1 | IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND | Takasago International Corporation (JP) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012029970-A1 | IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2012-03-08 | — | — | WO | disclosed |
| EP-2007703-A1 | METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007119079-A1 | METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2007-10-25 | — | — | WO | disclosed |
| US-5532402-A | Process for producing optically active hydroxyalkylphosphonates | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1996-07-02 | — | — | US | disclosed |
| EP-0444930-B1 | Compounds containing 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl and catalytic metal complexes thereof | TAKASAGO PERFUMERY CO LTD (JP) | 1994-11-30 | — | — | EP | disclosed |
| EP-0444930-A1 | Compounds containing 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl and catalytic metal complexes thereof | Takasago International Corporation (JP) | 1991-09-04 | — | — | EP | disclosed |