Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | ESRRB | O95718 | 1/20 | 0.38 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11015638 | 0.88 | HRH3 (0.55) | ALDH1A1HRH3KDM4EPOLB | |
| SCHEMBL11007885 | 0.88 | KDM4E (0.52) | ALDH1A1HRH3LTA4HKDM4ESMN1; SMN2 | |
| SCHEMBL10923693 | 0.88 | LTA4H (0.51) | ALDH1A1LTA4HKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL10921101 | 0.87 | ALDH1A1 (0.50) | ALDH1A1HRH3POLBESRRBGBA1 | |
| SCHEMBL11009859 | 0.86 | ALDH1A1 (0.43) | ALDH1A1HRH3SMN1; SMN2CYP2D6 | |
| Oxalic Acid SCHEMBL10995840 | 0.85 | KDM4E (0.58) | ALDH1A1HRH3LTA4HKDM4EPOLB | |
| SCHEMBL10990454 | 0.85 | HRH3 (0.49) | ALDH1A1TDP1HRH3SMN1; SMN2CYP2D6 | |
| SCHEMBL10921895 | 0.84 | SMN1; SMN2 (0.43) | ALDH1A1TDP1KDM4EMGLLABHD6 | |
| SCHEMBL10923304 | 0.84 | KCNH2 (0.51) | ALDH1A1POLB | |
| SCHEMBL10920900 | 0.83 | HPGD (0.44) | ALDH1A1TDP1KDM4EPOLBMGLL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0066987-B1 | N-(ARYLOXYALKYL)-N'-(AMINO-ALKYL) UREAS | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-08-27 | — | — | EP | disclosed |
| US-4558155-A | N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas | A. H. ROBINS COMPANY, INCORPORATED (US) | 1985-12-10 | — | — | US | disclosed |
| US-4500529-A | ANTIARRHYTHMIA AGENT | A. H. ROBINS COMPANY, INCORPORATED (US) | 1985-02-19 | — | — | US | disclosed |