Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 6/20 | 0.38 |
| ▸ | RARA | P10276 | 3/20 | 0.38 |
| ▸ | RARG | P13631 | 3/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 3/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL8338691 | 0.90 | SELE (0.45) | RXRANR4A2 | |
| SCHEMBL8185646 | 0.87 | BRD4 (0.43) | BRD4NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL8334672 | 0.81 | RARA (0.41) | NPC1RAB9ASMN1; SMN2RARBRARA | |
| SCHEMBL8338912 | 0.81 | RXRA (0.41) | NPC1RAB9ASMN1; SMN2RARBRARA | |
| SCHEMBL8335829 | 0.78 | RXRA (0.40) | NPC1RAB9ASMN1; SMN2RARBRARA | |
| SCHEMBL8187273 | 0.78 | PRKCI (0.44) | NPC1RAB9ASMN1; SMN2HPGDNFKB1 | |
| SCHEMBL8336344 | 0.75 | MEN1 (0.39) | NPC1RAB9ASMN1; SMN2RARBRARA | |
| SCHEMBL1969648 | 0.73 | SELE (0.45) | BRD4NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL8185519 | 0.73 | PDE5A (0.50) | SMN1; SMN2TP53ADORA2AADORA1 | |
| SCHEMBL12409516 | 0.73 | BRD4 (0.40) | BRD4NPC1RAB9ASMN1; SMN2ADORA2A |
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-5948911-A | Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives | CELL PATHWAYS, INC. (US) | 1999-09-07 | — | — | US | disclosed |