Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL11270751 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1POLBTDP1 | |
| SCHEMBL11062680 | 0.84 | ALDH1A1 (0.42) | LMNAALDH1A1KDM4EL3MBTL1POLB | |
| SCHEMBL11152798 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1POLBTDP1 | |
| SCHEMBL19186690 | 0.84 | ALDH1A1 (0.42) | LMNAALDH1A1KDM4EL3MBTL1POLB | |
| SCHEMBL11259209 | 0.84 | MEN1 (0.47) | ALDH1A1KDM4EL3MBTL1POLBTDP1 | |
| SCHEMBL11151891 | 0.84 | ALDH1A1 (0.45) | LMNAALDH1A1KDM4EL3MBTL1POLB | |
| SCHEMBL11266948 | 0.80 | ALDH1A1 (0.46) | LMNAALDH1A1KDM4EL3MBTL1SMN1; SMN2 | |
| SCHEMBL4739386 | 0.80 | LMNA (0.46) | BRD4LMNAALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL10369313 | 0.80 | SMN1; SMN2 (0.43) | ALDH1A1PKMSMN1; SMN2RAB9AMEN1 | |
| SCHEMBL10368892 | 0.79 | SMN1; SMN2 (0.45) | ALDH1A1PKMSMN1; SMN2NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072174-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CHARACTERIZED AS HAVING AN IDH MUTATION | AGIOS PHARMACEUTICALS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |
| US-4459300-A | ANTIEMETICS, GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS | BEECHAM GROUP P.L.C. (GB) | 1984-07-10 | — | — | US | disclosed |
| EP-0069482-A1 | Azabicycloalkyl benzamides, process for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1983-01-12 | — | — | EP | disclosed |