Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9639801 | 0.93 | KMT2A (0.37) | GAAPOLBTDP1MAPTKDM4E | |
| SCHEMBL9639039 | 0.77 | ALDH1A1 (0.30) | GAAPOLBKDM4EALDH1A1 | |
| SCHEMBL9638528 | 0.77 | — | — | |
| SCHEMBL9638558 | 0.72 | DPP4 (0.33) | POLBSMN1; SMN2LMNA | |
| SCHEMBL9639841 | 0.71 | CAPN1 (0.34) | POLBMAPT | |
| SCHEMBL6535681 | 0.70 | EPHX1 (0.31) | GAAEPHX1 | |
| SCHEMBL9639879 | 0.70 | KDM4E (0.31) | KDM4EALDH1A1 | |
| SCHEMBL27991910 | 0.69 | ATM (0.46) | GAAEPHX1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9638540 | 0.69 | KMT2A (0.50) | POLBSMN1; SMN2MAPTKDM4EALDH1A1 | |
| SCHEMBL16453645 | 0.68 | ATM (0.49) | EPHX1SMN1; SMN2NPC1RAB9AMAPT |
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-0326107-B1 | ANTIARTHRITIC BETA-CYCLOALKYL-BETA-OXOPROPIONITRILES | Bristol-Myers Squibb Company (US) | 1992-09-02 | — | — | EP | disclosed |
| US-4888357-A | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS COMPANY (US) | 1989-12-19 | — | — | US | disclosed |
| EP-0326107-A1 | Antiarthritic beta-cycloalkyl-beta-oxopropionitriles | Bristol-Myers Squibb Company (US) | 1989-08-02 | — | — | EP | disclosed |