Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL8133994 | 0.85 | RAB9A (0.39) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8134849 | 0.85 | CYP1A2 (0.55) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8180602 | 0.84 | RAB9A (0.43) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL6639259 | 0.81 | NPC1 (0.48) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL6637576 | 0.81 | NPC1 (0.48) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8125033 | 0.81 | ALDH1A1 (0.46) | RAB9ANPC1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL8138707 | 0.79 | RAB9A (0.73) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8140098 | 0.77 | RAB9A (0.54) | RAB9ANPC1SMN1; SMN2LMNACYP1A2 | |
| SCHEMBL8136755 | 0.76 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL8140696 | 0.75 | CNR2 (0.41) | RAB9ANPC1ALDH1A1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| 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 |