Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 7/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946318 | 0.87 | PIN1 (0.66) | PIN1MEN1KMT2ANR1H4NPC1 | |
| SCHEMBL7789871 | 0.83 | PIN1 (0.60) | PIN1MEN1KMT2ANR1H4NPC1 | |
| SCHEMBL7789870 | 0.83 | PIN1 (0.60) | PIN1MEN1KMT2ANR1H4NPC1 | |
| SCHEMBL6941033 | 0.82 | CA12 (0.55) | PIN1CA12CA1CA2CA9 | |
| SCHEMBL11639538 | 0.81 | RAB9A (0.57) | PIN1CA2KMT2ANPC1RAB9A | |
| SCHEMBL7789989 | 0.76 | NR1H4 (0.58) | PIN1MEN1KMT2ANR1H4NPC1 | |
| SCHEMBL7789992 | 0.76 | NR1H4 (0.58) | PIN1MEN1KMT2ANR1H4NPC1 | |
| SCHEMBL7781982 | 0.76 | RAB9A (0.72) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL7782138 | 0.75 | NPC1 (0.59) | PIN1MEN1KMT2ANR1H4NPC1 | |
| SCHEMBL7322390 | 0.75 | ROCK2 (0.42) | PIN1RAB9AGAA |
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 4 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 |
| US-6103720-A | ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |
| EP-0944582-A1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025883-A1 | KETOBENZAMIDES AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-18 | — | — | WO | disclosed |