Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14369823 | 0.85 | ALDH1A1 (0.56) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL11039202 | 0.84 | ALDH1A1 (0.62) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL790857 | 0.82 | KMT2A (0.60) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL27770727 | 0.82 | KMT2A (0.60) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL4688815 | 0.82 | KMT2A (0.60) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL4667043 | 0.81 | KMT2A (0.64) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL15256939 | 0.81 | ALDH1A1 (0.59) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL6129940 | 0.81 | KMT2A (0.58) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL31337846 | 0.81 | ALDH1A1 (0.59) | KMT2AALDH1A1TSHRHTTMEN1 | |
| SCHEMBL6830855 | 0.81 | KMT2A (0.58) | KMT2AALDH1A1TSHRHTTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1437587-A | Benzoxazepinones and their use as squalene synthetase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-08-20 | — | — | CN | disclosed |
| EP-1292585-A1 | BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2003-03-19 | — | — | EP | disclosed |
| WO-2001098282-A1 | BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 2001-12-27 | — | — | WO | disclosed |