Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL9569790 | 0.88 | IDH1 (0.48) | IDH1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9569774 | 0.78 | ESR1 (0.52) | MEN1KMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL22803273 | 0.74 | IDH1 (0.53) | IDH1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9569788 | 0.74 | ESR1 (0.62) | MEN1KMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL22803696 | 0.71 | NPC1 (0.67) | EPHX1NPC1RAB9AMAOAMAOB | |
| SCHEMBL22803968 | 0.71 | ESR1 (0.62) | IDH1EPHX1NPC1RAB9AMAOA | |
| SCHEMBL15702552 | 0.71 | IDH1 (1.00) | IDH1 | |
| SCHEMBL22803271 | 0.70 | EPHX1 (0.51) | IDH1MEN1KMT2AEPHX1NPC1 | |
| SCHEMBL12175766 | 0.70 | PKM (0.63) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL17664180 | 0.70 | IDH1 (0.61) | IDH1KMT2AEPHX1NPC1RAB9A |
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-0560554-A2 | Antitumor compositions and methods of treatment | ELI LILLY AND COMPANY (US) | 1993-09-15 | — | — | EP | disclosed |
| US-5169860-A | Benzofuran or benzothiophene arylsulfonylureas | ELI LILLY AND COMPANY (US) | 1992-12-08 | — | — | US | disclosed |