Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21317868 | 0.86 | BACE1 (0.40) | DHODHTDP1BACE1NPC1RAB9A | |
| SCHEMBL21317853 | 0.83 | AOC1 (0.41) | DHODHTDP1BACE1MEN1KMT2A | |
| SCHEMBL24716498 | 0.83 | DHODH (0.34) | DHODHTDP1BACE1NPC1RAB9A | |
| SCHEMBL580293 | 0.77 | PIK3C3 (0.42) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL4955823 | 0.73 | — | — | |
| SCHEMBL21317800 | 0.72 | AOC1 (0.40) | DHODHTDP1BACE1KDM4ECTSA | |
| SCHEMBL27652759 | 0.72 | NPC1 (0.54) | DHODHTDP1NPC1RAB9AKDM4E | |
| SCHEMBL15638870 | 0.71 | TGFBR1 (0.51) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL12097640 | 0.71 | ATR (0.44) | DHODHNPC1RAB9AMEN1KMT2A | |
| SCHEMBL21317795 | 0.71 | DHODH (0.43) | DHODHNPC1RAB9AMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3129367-B1 | 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS | RIGEL PHARMACEUTICALS INC (US) | 2019-09-04 | — | — | EP | disclosed |