Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 6/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | BLVRB | P30043 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9318447 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAAHPGDHTT | |
| SCHEMBL8568000 | 0.75 | KDM4E (0.41) | ALDH1A1KDM4EGAAHPGDHTT | |
| SCHEMBL16284377 | 0.73 | ALDH1A1 (0.64) | ALDH1A1KDM4EGAAHPGDHTT | |
| SCHEMBL27947899 | 0.72 | ALDH1A1 (0.77) | ALDH1A1KDM4EGAAHPGDHTT | |
| SCHEMBL17204726 | 0.69 | CA12 (0.50) | ALDH1A1KDM4EGAAHPGDGPR35 | |
| SCHEMBL30952123 | 0.69 | CA9 (0.61) | KDM4ELMNABLMCASP6GPR35 | |
| SCHEMBL8194941 | 0.69 | CA9 (0.61) | KDM4ELMNABLMCASP6GPR35 | |
| SCHEMBL9840273 | 0.68 | GPR35 (0.80) | ALDH1A1HPGDLMNAPOLBGPR35 | |
| SCHEMBL2226810 | 0.67 | HSD17B3 (0.71) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL9318993 | 0.67 | PKLR (0.55) | ALDH1A1KDM4EGAAHPGDHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5371220-A | Bicyclo-heterocyclic intermediates for cephalosporin compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-12-06 | — | — | US | disclosed |
| US-5019570-A | Antibioics | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-05-28 | — | — | US | disclosed |