Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.35 |
| ▸ | SORD | Q00796 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6636590 | 1.00 | NOS3 (0.50) | NOS3NOS1NOS2TRPA1SMYD3 | |
| SCHEMBL2737265 | 0.84 | NOS3 (0.53) | NOS3NOS1NOS2TRPA1SMYD3 | |
| SCHEMBL6638502 | 0.81 | HRH3 (0.39) | PKMRECQLPOLBMEN1KMT2A | |
| SCHEMBL20889614 | 0.81 | NOS3 (0.55) | NOS3NOS1NOS2SMYD3CTSA | |
| SCHEMBL17778607 | 0.78 | NOS3 (0.52) | NOS3NOS1NOS2TRPA1SMYD3 | |
| SCHEMBL21185561 | 0.78 | NOS3 (0.47) | NOS3NOS1NOS2TRPA1SMYD3 | |
| SCHEMBL18945314 | 0.78 | NOS3 (0.47) | NOS3NOS1NOS2TRPA1SMYD3 | |
| SCHEMBL27028346 | 0.74 | KMT2A (0.47) | NOS1NOS2AKR1C3AKR1C2MEN1 | |
| SCHEMBL27845901 | 0.74 | ADRB2 (0.31) | SORDADRB2KCNA5 | |
| SCHEMBL27028354 | 0.74 | KMT2A (0.47) | NOS1NOS2AKR1C3AKR1C2MEN1 |
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 7 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 |
| 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 |
| CN-1152022-C | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | �������Ŷ���Լ��������˾ | 2004-06-02 | — | — | CN | disclosed |
| US-6043248-A | VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS | PHARMACIA & UPJOHN COMPANY (US) | 2000-03-28 | — | — | US | disclosed |
| CN-1183773-A | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | UPJOHN CO (US) | 1998-06-03 | — | — | CN | 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 |