Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8960078 | 1.00 | MT-CO2 (0.47) | MT-CO2PTGS2PTGS1TAS1R3TAS1R1 | |
| SCHEMBL5422915 | 0.89 | MT-CO2 (0.47) | MT-CO2PTGS2PTGS1TAS1R3TAS1R1 | |
| SCHEMBL14420081 | 0.82 | TAS1R3 (0.40) | MT-CO2PTGS2PTGS1TAS1R3TAS1R1 | |
| SCHEMBL27909593 | 0.82 | TSHR (0.39) | TAS1R3TAS1R1HPGDKMT2APSEN1 | |
| SCHEMBL29484096 | 0.81 | PTGS1 (0.62) | MT-CO2PTGS2PTGS1HPGDKMT2A | |
| SCHEMBL1653533 | 0.81 | PTGS1 (0.62) | MT-CO2PTGS2PTGS1HPGDKMT2A | |
| SCHEMBL1492817 | 0.81 | PTGS1 (0.62) | MT-CO2PTGS2PTGS1HPGDKMT2A | |
| SCHEMBL5604858 | 0.81 | ALDH1A1 (0.44) | TAS1R3TAS1R1KMT2ACNR2TPMT | |
| SCHEMBL14264293 | 0.80 | MT-CO2 (0.56) | MT-CO2PTGS2PTGS1TAS1R3TAS1R1 | |
| SCHEMBL7219957 | 0.80 | MT-CO2 (0.45) | MT-CO2PTGS2PTGS1TAS1R3TAS1R1 |
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-0441979-B1 | OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE | DAICEL CHEM (JP) | 1996-01-31 | — | — | EP | disclosed |
| EP-0441979-A1 | OPTICALLY ACTIVE 2-(ALKYL-SUBSTITUTED PHENYL)-PROPIONIC ACID DERIVATIVE AND OPTICAL RESOLUTION OF ( )-1-METHYL-3-PHENYLPROPYLAMINE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1991-08-21 | — | — | EP | disclosed |