Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TK1 | P04183 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27691588 | 0.88 | ALDH1A1 (0.45) | ALDH1A1UPP1CYP2C9CYP2C19TSHR | |
| SCHEMBL27691590 | 0.84 | ALDH1A1 (0.70) | ALDH1A1UPP1CYP2C9CYP2C19TK1 | |
| SCHEMBL27691591 | 0.82 | ALDH1A1 (0.56) | ALDH1A1UPP1CYP2C9CYP2C19TK1 | |
| SCHEMBL27691587 | 0.81 | HPGD (0.50) | ALDH1A1SMN1; SMN2TSHRHPGDKDM4E | |
| SCHEMBL30601622 | 0.81 | ALDH1A1 (0.55) | ALDH1A1UPP1CYP2C9CYP2C19TK1 | |
| SCHEMBL6719602 | 0.73 | ALDH1A1 (0.75) | ALDH1A1UPP1CYP2C9CYP2C19TK1 | |
| SCHEMBL6723373 | 0.73 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19TK1SMN1; SMN2 | |
| SCHEMBL5383431 | 0.72 | ALDH1A1 (0.51) | ALDH1A1UPP1CYP2C9CYP2C19TK1 | |
| SCHEMBL598947 | 0.72 | ALDH1A1 (0.45) | ALDH1A1UPP1CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL27711771 | 0.72 | ALDH1A1 (0.57) | ALDH1A1UPP1CYP2C9CYP2C19TSHR |
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-102838549-A | New class of 1,5,6-substituted pyrimidine derivatives with anti-HIV virus effects | UNIV BEIJING | 2012-12-26 | — | — | CN | claimed |
| CN-101016265-A | Preparation of HIV-1 reverse transcriptase inhibitor and application thereof | UNIV CAPITAL MEDICAL SCIENCES (CN) | 2007-08-15 | — | — | CN | claimed |
| CN-102838549-A | New class of 1,5,6-substituted pyrimidine derivatives with anti-HIV virus effects | UNIV BEIJING | 2012-12-26 | — | — | CN | disclosed |
| CN-101016265-A | Preparation of HIV-1 reverse transcriptase inhibitor and application thereof | UNIV CAPITAL MEDICAL SCIENCES (CN) | 2007-08-15 | — | — | CN | disclosed |