Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL11358613 | 0.95 | ALDH1A1 (0.46) | ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19 | |
| Formaldehyde SCHEMBL11358614 | 0.93 | ALDH1A1 (0.47) | ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8964236 | 0.93 | ALDH1A1 (0.54) | ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19 | |
| Carbon Monoxide SCHEMBL11679960 | 0.77 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL8211513 | 0.74 | CYP3A4 (0.43) | CYP3A4KDM4E | |
| SCHEMBL1462276 | 0.74 | CYP3A4 (0.43) | CYP3A4KDM4E | |
| Carbon Monoxide SCHEMBL10733895 | 0.74 | MAOA (0.38) | SMN1; SMN2CYP3A4POLB | |
| Carbon Monoxide SCHEMBL9987491 | 0.74 | ALDH1A1 (0.58) | ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17346039 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL420011 | 0.72 | ALDH1A1 (0.78) | ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4687866-A | Ligand exchange process for producing alkyl diaryl phosphine rhodium carbonyl hydrides | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1987-08-18 | — | — | US | disclosed |
| US-4595753-A | Nitrogen heterocycle substituted | EXXON RESEARCH AND ENGINEERING CO. (US) | 1986-06-17 | — | — | US | disclosed |