Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TACR2 | P21452 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 1/20 | 0.50 |
| ▸ | TACR3 | P29371 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2565586 | 0.87 | MAPT (0.56) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3103714 | 0.86 | MAPT (0.51) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28013863 | 0.86 | MEN1 (0.47) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28014536 | 0.86 | HDAC3 (0.55) | MAPTTACR3PHGDHCA12ALPL | |
| SCHEMBL2790174 | 0.85 | PHGDH (0.58) | MAPTPOLBPHGDH | |
| SCHEMBL11073103 | 0.83 | CYP1A2 (0.53) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5022767 | 0.80 | TSHR (0.58) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12278253 | 0.77 | CYP2A6 (0.48) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28838986 | 0.77 | KDM4E (0.57) | MAPTCYP1A2CYP2D6CYP2C19POLB | |
| SCHEMBL1716280 | 0.76 | MAPT (0.50) | MAPTCYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | claimed |
| CN-104592116-A | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | UNIV SHANDONG | 2015-05-06 | — | — | CN | claimed |
| CN-104592116-B | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | 山东大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-104592116-A | 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof | UNIV SHANDONG | 2015-05-06 | — | — | CN | disclosed |