Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.30 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.30 |
| ▸ | PIK3CB known ✓ | P42338 | 1/20 | 0.30 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.30 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GLP1R | P43220 | 1/20 | 0.34 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL382725 | 0.84 | — | — | |
| SCHEMBL9322839 | 0.81 | CYP2D6 (0.42) | MAPTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL6637677 | 0.75 | PTGS2 (0.41) | MAPTKDM4EALDH1A1LMNAKMT2A | |
| SCHEMBL27323912 | 0.72 | ALDH1A1 (0.33) | MAPTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL8597269 | 0.72 | LMNA (0.42) | MAPTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL27467746 | 0.69 | LMNA (0.33) | ALDH1A1LMNAALOX15 | |
| SCHEMBL447400 | 0.68 | — | — | |
| SCHEMBL2623161 | 0.68 | — | — | |
| SCHEMBL1256448 | 0.67 | ALDH1A1 (0.42) | MAPTKDM4EALDH1A1LMNAGAA | |
| SCHEMBL28595833 | 0.66 | MAPT (0.48) | MAPTCYP3A4SMN1; SMN2NPC1RAB9A |
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 8 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 |
| 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 |