Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | MAPT | P10636 | 1/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | TPMT | P51580 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.48 |
| ▸ | TUBB | P07437 | 2/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.48 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.48 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Antiarol SCHEMBL210578 | 0.87 | CYP3A4 (1.00) | CYP3A4MAPTTDP1TPMTMAOB | |
| Antiarol SCHEMBL27791677 | 0.85 | CYP3A4 (0.95) | CYP3A4MAPTTDP1TPMTMAOB | |
| Iretol SCHEMBL3190103 | 0.85 | TDP1 (1.00) | CYP3A4MAPTTDP1TPMTMAOB | |
| SCHEMBL1402215 | 0.84 | CYP3A4 (0.60) | CYP3A4MAPTTDP1TPMTMAOB | |
| SCHEMBL67495 | 0.80 | PTGS2 (0.64) | CYP3A4MAPTTDP1MAOBPTGS2 | |
| SCHEMBL29421987 | 0.79 | CYP3A4 (0.74) | CYP3A4MAPTTDP1TPMTMAOB | |
| SCHEMBL17265618 | 0.79 | CYP3A4 (0.74) | CYP3A4MAPTTDP1TPMTMAOB | |
| SCHEMBL29421895 | 0.79 | ACHE (0.70) | CYP3A4MAPTTDP1TPMTTUBB1 | |
| SCHEMBL1427958 | 0.79 | ACHE (0.70) | CYP3A4MAPTTDP1TPMTTUBB1 | |
| SCHEMBL9768502 | 0.78 | CYP3A4 (0.58) | CYP3A4MAPTTDP1TPMTTUBB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2594563-B1 | 2-acylaminopropanol-type glucosylceramide synthase inhibitors | GENZYME CORP (US) | 2018-07-18 | — | — | EP | disclosed |
| EP-0773919-B1 | METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF | RHODIA CHIMIE SA (FR) | 2000-09-20 | — | — | EP | disclosed |
| EP-0773919-A1 | METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF | RHONE-POULENC CHIMIE (FR) | 1997-05-21 | — | — | EP | disclosed |
| WO-1996037454-A1 | METHOD FOR PREPARING 3-CARBOXY-4-HYDROXYBENZALDEHYDES AND DERIVATIVES THEREOF | RHONE-POULENC CHIMIE (FR) | 1996-11-28 | — | — | WO | disclosed |
| US-4435601-A | OXIDATION WITH HYDROGEN PEROXIDE IN ALKALI OR ALKALINE METAL BASE | RHONE-POULENC INDUSTRIES (FR) | 1984-03-06 | — | — | US | disclosed |