Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 6/20 | 0.33 |
| ▸ | MAOB | P27338 | 6/20 | 0.33 |
| ▸ | KDM1A | O60341 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL11423113 | 1.00 | CYP3A4 (0.43) | CYP3A4TDP1SLC18A3SIGMAR1CHRNB2 | |
| SCHEMBL7523503 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3676137 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1SLC18A3SIGMAR1CHRNB2 | |
| SCHEMBL11043908 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3680204 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1SLC18A3SIGMAR1CHRNB2 | |
| SCHEMBL7523506 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7527097 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1SLC18A3SIGMAR1CHRNB2 | |
| SCHEMBL7522233 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1SLC18A3SIGMAR1CHRNB2 | |
| SCHEMBL3674735 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1SLC18A3SIGMAR1CHRNB2 | |
| SCHEMBL7523498 | 0.90 | CYP3A4 (0.39) | CYP3A4TDP1CHRNB2CHRNB4CHRNA3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9266806-B1 | Reductive carbonylation of methanol to acetaldehyde | EASTMAN CHEMICAL COMPANY (US) | 2016-02-23 | — | — | US | claimed |
| US-4221744-A | Hydroformylation process employing rhodium-based catalysts comprising ligands having electronegative substituents | CELANESE CORPORATION (US) | 1980-09-09 | — | — | US | claimed |
| JP-62012787-A | — | — | None | — | — | JP | disclosed |
| US-9266806-B1 | Reductive carbonylation of methanol to acetaldehyde | EASTMAN CHEMICAL COMPANY (US) | 2016-02-23 | — | — | US | disclosed |
| US-5637779-A | CONDENSATING ETHYNYL-B-IONOL WITH AN ACETAL IN PRESENCE OF A COPPER CATALYST AND A BASE; HYDROGENATING; FORMING RETINOL;REDUCTION | RHONE-POULENC NUTRITION ANIMALE (FR) | 1997-06-10 | — | — | US | disclosed |
| JP-S6212787-A | NOVEL 1,2-BIS-DIPHENYLPHOSPHINE DERIVATIVE | IHARA CHEM IND CO LTD | 1987-01-21 | — | — | JP | disclosed |