Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8888852 | 0.95 | PTGS1 (0.50) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL4400113 | 0.92 | ALDH1A1 (0.58) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL8468016 | 0.91 | PTGS1 (0.58) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL8468243 | 0.91 | PTGS1 (0.58) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL8465297 | 0.91 | PTGS1 (0.58) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL6937950 | 0.89 | PTGS1 (0.60) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL6941602 | 0.89 | PTGS1 (0.60) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| Zinc Ion SCHEMBL8465869 | 0.81 | PTGS1 (0.51) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL8885500 | 0.79 | MGLL (0.41) | ALDH1A1PKMPTGS1PTGS2MEN1 | |
| SCHEMBL8883684 | 0.79 | MGLL (0.46) | ALDH1A1PKMPTGS1PTGS2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5877327-A | METAL SALTS OF ITACONIMIDECARBOXYLIC ACIDS | AKZO NOBEL N.V. (NL) | 1999-03-02 | — | — | US | disclosed |
| EP-0638107-B1 | ANTI-FATIQUE COAGENTS FOR RUBBER VULCANIZATION | AKZO NOBEL NV (NL) | 1997-05-14 | — | — | EP | disclosed |
| US-5508354-A | Anti-fatigue coagents for rubber vulcanization | AKZO NOBEL N.V. (NL) | 1996-04-16 | — | — | US | disclosed |