Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 2/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | BCR | P11274 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8220878 | 0.73 | ALOX15 (0.50) | KMT2AMAPTUSP2NPSR1ESR1 | |
| SCHEMBL3270763 | 0.73 | BRAF (0.50) | KMT2AMAPTUSP2NPSR1HSD17B10 | |
| SCHEMBL8219529 | 0.70 | MAPT (0.45) | KMT2AMAPTUSP2NPSR1ESR1 | |
| SCHEMBL8205966 | 0.69 | KMT2A (0.48) | KMT2AMAPTUSP2NPSR1MEN1 | |
| SCHEMBL8214222 | 0.67 | ADORA2A (0.53) | KMT2AMEN1HSD17B2HSD17B1ABL1 | |
| SCHEMBL8213534 | 0.65 | ESR1 (0.40) | ESR1ABL1BCRESR2 | |
| SCHEMBL8223557 | 0.65 | ESR1 (0.49) | KMT2AMAPTUSP2NPSR1ESR1 | |
| SCHEMBL13350170 | 0.64 | HSD17B1 (0.39) | KMT2AESR1MEN1HSD17B2HSD17B1 | |
| SCHEMBL8214143 | 0.64 | ALDH1A1 (0.54) | KMT2AMAPTNPSR1MEN1KDM4E | |
| SCHEMBL8013007 | 0.64 | TDP1 (0.42) | KMT2AMAPTNPSR1MEN1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008021960-A2 | TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |