Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL26084789 | 0.89 | CYP2D6 (0.56) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL8694370 | 0.87 | CYP2D6 (0.44) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL8394432 | 0.84 | GLO1 (0.58) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL3699121 | 0.77 | GLO1 (0.42) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL27220599 | 0.76 | GLO1 (0.41) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL10208384 | 0.76 | NPSR1 (0.50) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL6887908 | 0.75 | NPSR1 (0.54) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL9064338 | 0.75 | ALDH1A1 (0.41) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 | |
| SCHEMBL8394467 | 0.74 | MAPT (0.52) | CYP2D6ALDH1A1SMN1; SMN2DHODHMAPT | |
| SCHEMBL30096052 | 0.73 | GLO1 (0.38) | CYP2D6ALDH1A1SMN1; SMN2NPSR1GLO1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5935966-A | COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS | SIGNAL PHARMACEUTICALS, INC. (US) | 1999-08-10 | — | — | US | disclosed |
| US-5852028-A | Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions | SIGNAL PHARMACEUTICALS, INC. (US) | 1998-12-22 | — | — | US | disclosed |
| WO-1998038171-A1 | PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS | SIGNAL PHARMACEUTICALS, INC. (US) | 1998-09-03 | — | — | WO | disclosed |
| WO-1997009325-A1 | PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS | SIGNAL PHARMACEUTICALS, INC. (US) | 1997-03-13 | — | — | WO | disclosed |