Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 3/20 | 0.43 |
| ▸ | RAD52 | P43351 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964728 | 0.86 | KDM4E (0.43) | KDM4EALDH1A1POLBGAAGLA | |
| SCHEMBL7262454 | 0.84 | KDM4E (0.40) | KDM4EALDH1A1POLBGAAGLA | |
| SCHEMBL4264705 | 0.81 | KDM4E (0.47) | KDM4EALDH1A1POLBGAAGLA | |
| SCHEMBL6983102 | 0.80 | KDM4E (0.46) | KDM4EALDH1A1POLBGAAGLA | |
| SCHEMBL6788358 | 0.80 | CYP2C19 (0.56) | KDM4EALDH1A1RAB9ACYP2C19KMT2A | |
| SCHEMBL6665713 | 0.80 | BACE1 (0.53) | KDM4EALDH1A1POLBGAAGLA | |
| SCHEMBL22926881 | 0.80 | KDM4E (0.56) | KDM4EALDH1A1GAAGLALMNA | |
| SCHEMBL3964725 | 0.79 | KDM4E (0.40) | KDM4EALDH1A1POLBGLALMNA | |
| SCHEMBL2532916 | 0.79 | TNKS2 (0.46) | KDM4EALDH1A1POLBGAAGLA | |
| SCHEMBL11341944 | 0.79 | ELANE (0.42) | KDM4EALDH1A1POLBGAAGLA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003053940-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-$G(A) CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |
| EP-1263756-A2 | BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | Bristol-Myers Squibb Pharma Company (US) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001070734-A2 | BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |