Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | F12 | P00748 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2646977 | 0.84 | PLAU (0.50) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL3248709 | 0.84 | PLAU (0.50) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL3250398 | 0.84 | PLAU (0.50) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL29986248 | 0.84 | PLAU (0.50) | ACHEPLAUCYP2A6F12NCF1 | |
| Hydrochloric Acid SCHEMBL10435179 | 0.82 | PLAU (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| Hydrochloric Acid SCHEMBL30050701 | 0.82 | PLAU (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL18154032 | 0.82 | PLAU (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL31122674 | 0.82 | PLAU (0.48) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL2307025 | 0.81 | PLAU (0.52) | ACHEPLAUCYP2A6F12NCF1 | |
| SCHEMBL6244639 | 0.81 | PLAU (0.47) | ACHEPLAUCYP2A6F12NCF1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1535958-A | Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound | �������Ŷ���Լ��������˾ | 2004-10-13 | — | — | CN | disclosed |
| CN-1183773-A | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | UPJOHN CO (US) | 1998-06-03 | — | — | CN | disclosed |
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |