Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.52 |
| ▸ | CTSD | P07339 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9829926 | 1.00 | KMT2A (0.65) | KMT2AMEN1GAAEPHX2KDM4E | |
| SCHEMBL8259636 | 0.87 | KMT2A (0.62) | KMT2AMEN1GAAEPHX2KDM4E | |
| SCHEMBL9169977 | 0.83 | KMT2A (0.79) | KMT2AMEN1GAAPOLBCYP3A4 | |
| SCHEMBL14399043 | 0.82 | ALDH1A1 (0.73) | KMT2AMEN1POLBL3MBTL1 | |
| SCHEMBL8318576 | 0.82 | KMT2A (0.62) | KMT2AMEN1GAAEPHX2KDM4E | |
| SCHEMBL16312243 | 0.81 | MAPK1 (0.69) | KMT2AMEN1GAAEPHX2KDM4E | |
| SCHEMBL21762123 | 0.80 | POLB (0.54) | POLBHTTSMN1; SMN2L3MBTL1 | |
| SCHEMBL28901353 | 0.80 | KMT2A (0.77) | KMT2AMEN1POLBCYP3A4CYP2D6 | |
| SCHEMBL29924236 | 0.80 | KMT2A (0.77) | KMT2AMEN1POLBCYP3A4CYP2D6 | |
| SCHEMBL28901354 | 0.80 | KMT2A (0.77) | KMT2AMEN1POLBCYP3A4CYP2D6 |
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-0256888-B1 | BENZOTHIAZEPINE VASODILATORS HAVING ARALKYL SUBSTITUTION | McNeilab, Inc. (US) | 1991-07-03 | — | — | EP | disclosed |
| US-4729994-A | Benzothiazepine vasodilators having aralkyl substitution | MCNEILAB, INC. (US) | 1988-03-08 | — | — | US | disclosed |
| EP-0256888-A1 | Benzothiazepine vasodilators having aralkyl substitution | McNeilab, Inc. (US) | 1988-02-24 | — | — | EP | disclosed |