Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6391680 | 0.90 | CYP1A2 (0.43) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL6640908 | 0.85 | MEN1 (0.44) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL6636893 | 0.84 | RAB9A (0.44) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL8571334 | 0.84 | CYP1A2 (0.44) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL8125458 | 0.83 | HSP90AA1 (0.44) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL8136440 | 0.83 | HTT (0.40) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL6638339 | 0.79 | NPC1 (0.42) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL6643256 | 0.78 | CYP1A2 (0.48) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL6675170 | 0.77 | MAPT (0.50) | MEN1KMT2ASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL6639242 | 0.77 | MEN1 (0.57) | RAB9AMEN1KMT2ASMN1; SMN2NPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1247804-A1 | Pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2002-10-09 | — | — | EP | disclosed |
| US-6043248-A | VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS | PHARMACIA & UPJOHN COMPANY (US) | 2000-03-28 | — | — | US | 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 |
| EP-0728130-A1 | PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013267-A1 | PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS | THE UPJOHN COMPANY (US) | 1995-05-18 | — | — | WO | disclosed |