Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 1/20 | 0.57 |
| ▸ | FABP4 | P15090 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 10/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL97659 | 0.86 | NPC1 (0.54) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL6638445 | 0.85 | FABP4 (0.57) | FABP3FABP4ALDH1A1HPGDKDM4E | |
| SCHEMBL6640190 | 0.85 | FABP4 (0.57) | FABP3FABP4ALDH1A1HPGDKDM4E | |
| SCHEMBL18499086 | 0.82 | RAB9A (0.50) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL16743643 | 0.81 | HTT (0.54) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL27218846 | 0.81 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL6637213 | 0.80 | TP53 (0.56) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL27218723 | 0.79 | MAPT (0.48) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL19805737 | 0.77 | THRB (0.61) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL3852592 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0824524-B1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | UPJOHN CO (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | 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 |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | disclosed |