Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30679480 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TDP1RAB9ARECQLNPC1 | |
| SCHEMBL2474283 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TDP1RAB9ARECQLNPC1 | |
| SCHEMBL2474284 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TDP1RAB9ARECQLNPC1 | |
| SCHEMBL3182861 | 0.85 | CA1 (0.55) | ALDH1A1TDP1LMNARAB9ARECQL | |
| SCHEMBL2596731 | 0.84 | ALDH1A1 (0.51) | ALDH1A1TDP1LMNARAB9ARECQL | |
| SCHEMBL2912362 | 0.82 | RAB9A (0.47) | ALDH1A1TDP1LMNARAB9ARECQL | |
| SCHEMBL6845321 | 0.82 | CA1 (0.49) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL6845320 | 0.82 | CA1 (0.49) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL1276317 | 0.81 | RAB9A (0.45) | ALDH1A1TDP1LMNARAB9ARECQL | |
| SCHEMBL11259237 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TDP1LMNARAB9ARECQL |
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 |
|---|---|---|---|---|---|---|---|
| EP-0579643-A1 | ATP ANALOGUES | FISONS plc (GB) | 1994-01-26 | — | — | EP | disclosed |
| WO-1992017488-A1 | ATP ANALOGUES | FISONS PLC (GB) | 1992-10-15 | — | — | WO | disclosed |