Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7579180 | 1.00 | CHRM5 (0.58) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL7579153 | 0.83 | CHRM5 (0.60) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL7573978 | 0.81 | GRIN2D (0.47) | G6PC1CYP1A2CYP3A4RELAPOLB | |
| SCHEMBL7573981 | 0.81 | GRIN2D (0.47) | G6PC1CYP1A2CYP3A4RELAPOLB | |
| SCHEMBL4892909 | 0.80 | CHRM5 (0.70) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL4892903 | 0.80 | CHRM5 (0.70) | CHRM5TAAR1G6PC1CYP1A2CYP3A4 | |
| SCHEMBL7579687 | 0.80 | NPC1 (0.55) | CYP1A2TDP1RELANPC1RAB9A | |
| SCHEMBL7579680 | 0.80 | NPC1 (0.55) | CYP1A2TDP1RELANPC1RAB9A | |
| SCHEMBL7572607 | 0.78 | CHRM5 (0.53) | CHRM5CYP1A2RELANPC1RAB9A | |
| SCHEMBL7572612 | 0.78 | CHRM5 (0.53) | CHRM5CYP1A2RELANPC1RAB9A |
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-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |