Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.47 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8354304 | 0.82 | KMT2A (0.57) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL12000924 | 0.80 | KMT2A (0.56) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL12086345 | 0.77 | NR3C2 (0.55) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL51166 | 0.77 | CA12 (0.48) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL6184898 | 0.76 | NR3C1 (0.57) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL16508906 | 0.74 | NR3C2 (0.52) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL5020955 | 0.74 | KMT2A (0.49) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL1323519 | 0.72 | KMT2A (0.47) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL2652292 | 0.72 | KMT2A (0.47) | KMT2AALDH1A1TSHRNR3C1NR3C2 | |
| SCHEMBL103900 | 0.72 | KMT2A (0.47) | KMT2AALDH1A1TSHRNR3C1NR3C2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6444829-B1 | (2S,4R)-4-MERCAPTO-1-(NAPHTHALENE-2-SULFONYL)-PYRROLIDINE-2 -CARBOXYLIC ACID N'-ISOBUTYL-N'-(4-METHYL-BENZENESULFONYL)-HYDRAZIDE, FOR EXAMPLE; INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; VASODILATORS | HOFFMANN-LA ROCHE INC. | 2002-09-03 | — | — | US | disclosed |