Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIB | P23284 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22803135 | 0.75 | ALDH1A1 (0.35) | CYP19A1ALDH1A1NPC1PLA2G1BNFKB1 | |
| SCHEMBL23561634 | 0.75 | HDAC3 (0.45) | PPIBCYP19A1L3MBTL1HDAC3HDAC4 | |
| SCHEMBL11155942 | 0.75 | PPIB (0.42) | PPIBALDH1A1NPC1PLA2G1BRAB9A | |
| SCHEMBL11248793 | 0.75 | MAPT (0.53) | PPIBALDH1A1RAB9AHDAC3HDAC4 | |
| SCHEMBL11257343 | 0.74 | ALDH1A1 (0.47) | PPIBALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL11248037 | 0.74 | HDAC3 (0.43) | PPIBHDAC3HDAC4HDAC1HDAC7 | |
| Hydrochloric Acid SCHEMBL11150119 | 0.73 | MAPT (0.45) | PPIBALDH1A1NPC1PLA2G1BRAB9A | |
| Hydrochloric Acid SCHEMBL11377295 | 0.73 | HDAC3 (0.42) | PPIBHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11152982 | 0.73 | PPIB (0.42) | PPIBHDAC3HDAC4HDAC1HDAC7 | |
| Spizofurone SCHEMBL933718 | 0.73 | KDM4E (0.46) | PPIBALDH1A1NPC1RAB9AHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7799915-B2 | Anilino-pyrimidine analogs | WYETH LLC (US) | 2010-09-21 | — | — | US | disclosed |
| US-7799915-B2 | Anilino-pyrimidine analogs | WYETH LLC (US) | 2010-09-21 | — | — | US | disclosed |