Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 4/20 | 0.38 |
| ▸ | GBA1 | P04062 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24322279 | 0.92 | CDK8 (0.39) | NPC1RAB9ASMN1; SMN2POLBKMT2A | |
| SCHEMBL5234890 | 0.88 | P2RX7 (0.39) | NPC1RAB9ASMN1; SMN2POLBKMT2A | |
| SCHEMBL5231489 | 0.86 | PRNP (0.45) | SMN1; SMN2POLBKMT2AACVR1CLK4 | |
| SCHEMBL4490632 | 0.86 | P2RX7 (0.39) | NPC1RAB9ASMN1; SMN2POLBKMT2A | |
| SCHEMBL5236990 | 0.85 | GSK3A (0.44) | ACVR1CLK4P2RX7CLK2DYRK1B | |
| SCHEMBL5235795 | 0.84 | KDR (0.45) | NPC1RAB9AACVR1CLK4FERMT2 | |
| SCHEMBL5235225 | 0.84 | CYP1A2 (0.49) | RAB9ASMN1; SMN2P2RX7GRM5ALDH1A1 | |
| SCHEMBL29959459 | 0.84 | CYP1A2 (0.49) | RAB9ASMN1; SMN2P2RX7GRM5ALDH1A1 | |
| SCHEMBL5238328 | 0.83 | THRB (0.44) | NPC1RAB9ASMN1; SMN2KMT2AP2RX7 | |
| SCHEMBL5231308 | 0.81 | SRC (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004026302-A1 | METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | WO | disclosed |