Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PAK4 | O96013 | 2/20 | 0.40 |
| ▸ | CX3CR1 | P49238 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6641821 | 0.82 | POLB (0.54) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL6640181 | 0.82 | PAK4 (0.52) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL5494013 | 0.75 | RAB9A (0.60) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL5450296 | 0.74 | RAB9A (0.68) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL8124942 | 0.74 | HSP90AA1 (0.50) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL8125458 | 0.71 | HSP90AA1 (0.44) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL8125405 | 0.71 | HSP90AA1 (0.44) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL8125824 | 0.70 | HSP90AA1 (0.43) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL13752162 | 0.70 | RAB9A (0.70) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 | |
| SCHEMBL8138707 | 0.69 | RAB9A (0.73) | HSP90AA1RAB9ASMN1; SMN2NPC1CXCR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1309656-A | Alkylthio alpha-substituted pyrimidine compounds | UPJOHN CO (US) | 2001-08-22 | — | — | CN | disclosed |
| US-6124306-A | Thioalkyl alpha substituted pyrimidine compounds | PHARMACIA & UPJOHN COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| EP-1034167-A1 | ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS | PHARMACIA & UPJOHN COMPANY (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999019304-A9 | ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS | UPJOHN CO (US) | 1999-07-08 | — | — | WO | disclosed |
| WO-1999019304-A2 | ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS | PHARMACIA & UPJOHN COMPANY (US) | 1999-04-22 | — | — | WO | disclosed |