Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 3/20 | 0.44 |
| ▸ | HEXB | P07686 | 3/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | GCGR | P47871 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8474990 | 0.82 | DHFR (0.44) | HEXAHEXBDHFRGCGRPTGS1 | |
| SCHEMBL8474820 | 0.78 | DHFR (0.41) | HEXAHEXBDHFRGCGRPTGS1 | |
| SCHEMBL8475027 | 0.77 | BRD4 (0.42) | PTGS1PTGS2TP53L3MBTL1AKT2 | |
| SCHEMBL9076864 | 0.69 | HEXA (0.53) | HEXAHEXBDHFRGCGRPTGS1 | |
| SCHEMBL8479260 | 0.68 | TP53 (0.41) | HEXAHEXBDHFRGCGRPTGS1 | |
| SCHEMBL11720669 | 0.67 | LMNA (0.43) | PTGS1PTGS2L3MBTL1AKT2BRD4 | |
| SCHEMBL12368269 | 0.63 | HEXA (0.73) | HEXAHEXBDHFRTP53L3MBTL1 | |
| SCHEMBL8478772 | 0.62 | BRD4 (0.36) | DHFRGCGRTP53L3MBTL1AKT2 | |
| SCHEMBL31500058 | 0.62 | ALDH1A1 (0.50) | HEXAHEXBDHFRL3MBTL1KDM4E | |
| SCHEMBL11738666 | 0.62 | ADORA3 (0.49) | HEXAHEXBDHFRPTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6004988-A | Carboxylic acid derivatives, their preparation and their use | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |