Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1555097 | 0.88 | S1PR1 (0.44) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL1554402 | 0.80 | TSHR (0.44) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL3490180 | 0.78 | MAPK14 (0.39) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL3488724 | 0.77 | ALDH1A1 (0.52) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL3488671 | 0.75 | NR1H2 (0.35) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL3488999 | 0.75 | NPSR1 (0.36) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL3487972 | 0.74 | MAPK14 (0.43) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL1555207 | 0.74 | MAPK14 (0.40) | S1PR1NPC1S1PR4ALDH1A1LMNA | |
| SCHEMBL1556865 | 0.74 | HTR2A (0.48) | GPR55HTR2AHTR2C | |
| SCHEMBL3488208 | 0.72 | POLB (0.39) | NPC1ALDH1A1MAPTHPGDRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100094000-A1 | PYRAZOLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-15 | — | — | US | disclosed |
| US-20100094000-A1 | PYRAZOLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-15 | — | — | US | disclosed |
| US-20100094000-A1 | PYRAZOLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100094000-A1 | PYRAZOLE COMPOUNDS | NR3C2, MC2R, NR3C1 | S1PR1 752/4885NPC1 3279/4885S1PR4 884/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.