Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18904098 | 0.79 | L3MBTL1 (0.44) | TP53ALDH1A1TSHRKDM4EL3MBTL1 | |
| SCHEMBL16502974 | 0.78 | L3MBTL1 (0.57) | ALDH1A1NMT1L3MBTL1MEN1KMT2A | |
| SCHEMBL16502982 | 0.72 | KMT2A (0.58) | ALDH1A1NMT1L3MBTL1MEN1KMT2A | |
| SCHEMBL18904148 | 0.70 | NMT1 (0.40) | ALDH1A1TSHRNMT1MEN1KMT2A | |
| SCHEMBL18904190 | 0.69 | TSHR (0.37) | ALDH1A1TSHRNMT1L3MBTL1KMT2A | |
| SCHEMBL9815287 | 0.69 | HSD17B1 (0.46) | ALDH1A1TSHRHSD17B1HSD17B2EPHX1 | |
| SCHEMBL18904084 | 0.68 | MAPT (0.48) | ALDH1A1TSHRSHMT2KDM4EMEN1 | |
| SCHEMBL18903780 | 0.67 | NMT1 (0.42) | TSHRNMT1KDM4EL3MBTL1LMNA | |
| SCHEMBL17164767 | 0.67 | TP53 (0.49) | TP53ALDH1A1HSD17B1HSD17B2SHMT2 | |
| SCHEMBL30388763 | 0.66 | EPHX1 (0.72) | ALDH1A1TSHRHSD17B1HSD17B2EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2980076-B1 | Pyrazolyl derivatives | UNIV DUNDEE (GB) | 2017-05-31 | — | — | EP | disclosed |