Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11476066 | 0.91 | ALDH1A1 (0.53) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| Isopropyldiphenylamine SCHEMBL2119060 | 0.88 | ALDH1A1 (0.50) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| Isopropyldiphenylamine SCHEMBL2119054 | 0.88 | ALDH1A1 (0.50) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| Isopropyldiphenylamine SCHEMBL27697074 | 0.88 | ALDH1A1 (0.50) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| SCHEMBL141145 | 0.88 | ALDH1A1 (0.42) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| SCHEMBL28390686 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| Isopropyldiphenylamine SCHEMBL29931884 | 0.85 | ALDH1A1 (0.49) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| SCHEMBL184934 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| Isopropyldiphenylamine SCHEMBL31410717 | 0.85 | ALDH1A1 (0.49) | ALDH1A1MAPTHTTKDM4EALOX12 | |
| Hydrochloric Acid SCHEMBL29160785 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPTHTTKDM4EALOX12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0014998-A1 | Preparation of tertiary aromatic amines by reductive alkylation of diaryl secondary amines with ketones | UNIROYAL, INC. (US) | 1980-09-03 | — | — | EP | disclosed |