Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 4/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.43 |
| ▸ | KDM6B | O15054 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DDT | P30046 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2560779 | 0.82 | DDT (0.51) | RPS6KA3KMOKDM4ELMNAHTT | |
| SCHEMBL2222831 | 0.82 | ALDH1A1 (0.50) | RPS6KA3KDM4EHTTMEN1KMT2A | |
| SCHEMBL10364611 | 0.80 | MKNK1 (0.56) | KMOKDM4ELMNAHTTMEN1 | |
| Hydrochloric Acid SCHEMBL7279409 | 0.80 | ALDH1A1 (0.49) | RPS6KA3KDM4EHTTMEN1KMT2A | |
| SCHEMBL30705023 | 0.80 | MKNK1 (0.56) | KMOKDM4ELMNAHTTMEN1 | |
| SCHEMBL2557801 | 0.79 | TRIM24 (0.50) | KMOKDM4ELMNAHTTMEN1 | |
| SCHEMBL30361685 | 0.79 | L3MBTL1 (0.59) | KMOKDM4EAKR1C2AKR1C1MEN1 | |
| SCHEMBL268963 | 0.79 | L3MBTL1 (0.59) | KMOKDM4EAKR1C2AKR1C1MEN1 | |
| SCHEMBL473596 | 0.78 | KMO (0.53) | KMOKDM4ELMNAAKR1C2MEN1 | |
| SCHEMBL4248571 | 0.78 | KDM4E (0.60) | KMOKDM4ELMNAHTTAKR1C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1263755-A2 | CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | Bristol-Myers Squibb Pharma Company (US) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001070673-A2 | CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |