Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | ADH1B | P00325 | 5/20 | 0.48 |
| ▸ | ADH1A | P07327 | 5/20 | 0.48 |
| ▸ | ADH1C | P00326 | 4/20 | 0.48 |
| ▸ | ADH7 | P40394 | 4/20 | 0.48 |
| ▸ | ADH4 | P08319 | 2/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | DDAH1 | O94760 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL79568 | 0.94 | TSHR (0.65) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL3140921 | 0.90 | ADH1B (0.56) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL9796943 | 0.90 | ADH1B (0.56) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL22856952 | 0.88 | ADH1B (0.54) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL277243 | 0.88 | ADH1B (0.48) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL24013259 | 0.85 | TSHR (0.52) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL8693116 | 0.85 | TSHR (0.46) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL16237152 | 0.81 | ALDH1A1 (0.86) | TSHRALDH1A1CYP3A4ADH1BADH1A | |
| SCHEMBL271572 | 0.80 | — | — | |
| SCHEMBL9884573 | 0.80 | ADH1B (0.55) | TSHRALDH1A1CYP3A4ADH1BADH1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0925299-A1 | PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-06-30 | — | — | EP | disclosed |
| WO-1998003507-A1 | PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-01-29 | — | — | WO | disclosed |