Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 5/20 | 0.44 |
| ▸ | CES1 | P23141 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4623904 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRCES2CES1CYP2C9 | |
| SCHEMBL7853979 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRCES2CES1CYP2C9 | |
| SCHEMBL7853980 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRCES2CES1CYP2C9 | |
| SCHEMBL2592394 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TSHRCES2CES1CYP2C9 | |
| SCHEMBL2592388 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TSHRCES2CES1CYP2C9 | |
| SCHEMBL13237290 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C9MAPTMEN1 | |
| SCHEMBL1754710 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP2C9MAPTMEN1 | |
| SCHEMBL2115865 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP2C9MAPTMEN1 | |
| SCHEMBL20551568 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP2C9MAPTMEN1 | |
| SCHEMBL4625344 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1067121-B1 | 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same | MITSUI CHEMICALS INC (JP) | 2008-05-28 | — | — | EP | disclosed |
| US-6235911-B1 | 5-aminopyrazole-4-carboxylate derivative and process for preparing the same | MITSUI CHEMICALS, INC. (JP) | 2001-05-22 | — | — | US | disclosed |
| EP-1067121-A2 | 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same | Mitsui Chemicals, Inc. (JP) | 2001-01-10 | — | — | EP | disclosed |