Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8627156 | 0.85 | KDM4E (0.39) | ALDH1A1KDM4ETSHRHSD17B10CYP3A4 | |
| SCHEMBL8597269 | 0.80 | LMNA (0.42) | ALDH1A1KDM4EHSD17B10HPGDLMNA | |
| SCHEMBL9322839 | 0.74 | CYP2D6 (0.42) | ALDH1A1KDM4ELMNAMAPTGAA | |
| SCHEMBL6637802 | 0.72 | MAPT (0.35) | ALDH1A1KDM4ETSHRHSD17B10CYP3A4 | |
| SCHEMBL17398022 | 0.67 | LCK (0.43) | ALDH1A1KDM4ETSHRHSD17B10S1PR2 | |
| SCHEMBL3634528 | 0.67 | CA5A (0.36) | TSHRHSD17B10LMNANT5ESMN1; SMN2 | |
| SCHEMBL9395961 | 0.66 | CYP1A2 (0.36) | ALDH1A1KDM4ETSHRHSD17B10CASP1 | |
| SCHEMBL27976239 | 0.66 | TSHR (0.33) | ALDH1A1KDM4ETSHRHSD17B10NT5E | |
| SCHEMBL9325257 | 0.66 | ALDH1A1 (0.44) | ALDH1A1TSHRALOX15LMNA | |
| SCHEMBL246058 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1046270-C | Pyrimidine-thloalkyl and alkylether compounds | PHARMACIA UPJOHN COMPANY (US) | 1999-11-10 | — | — | CN | disclosed |
| CN-1134697-A | Pyrimidine-sulfanyl and alkyl ether compounds | UPJOHN CO (US) | 1996-10-30 | — | — | CN | disclosed |