Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | RHOA | P61586 | 1/20 | 0.64 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.62 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.61 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.59 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CDC25B | P30305 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.55 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.55 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7524753 | 0.86 | ALDH1A1 (0.69) | ALDH1A1CYP3A4HPGDHSD17B10MRGPRX4 | |
| 3-Phenylamino Benzoic Acid SCHEMBL4345076 | 0.86 | RHOA (0.77) | ALDH1A1HPGDHSD17B10RHOAAKR1C3 | |
| Diphenylamine SCHEMBL28427475 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP3A4HPGDHSD17B10RHOA | |
| SCHEMBL22651908 | 0.80 | ALDH1A1 (0.91) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 | |
| SCHEMBL9486049 | 0.80 | ALDH1A1 (0.91) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 | |
| SCHEMBL11466814 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 | |
| SCHEMBL29354421 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 | |
| SCHEMBL7928040 | 0.80 | ALDH1A1 (0.83) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 | |
| SCHEMBL38433 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 | |
| Benzene SCHEMBL28342167 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP3A4HPGDHSD17B10L3MBTL1 |
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-0944582-B1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2003-07-02 | — | — | EP | disclosed |
| EP-0944582-A1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| EP-0944584-A1 | BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025883-A1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-18 | — | — | WO | disclosed |
| WO-1998023581-A1 | BENZAMIDOALDEHYDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-04 | — | — | WO | disclosed |