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 | |
|---|---|---|---|---|
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.55 |
| ▸ | CTSD | P07339 | 1/20 | 0.53 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KLK1 | P06870 | 1/20 | 0.45 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL128193 | 0.89 | CA1 (0.56) | MRGPRX1CTSDSTAT3NPC1RAB9A | |
| SCHEMBL29970206 | 0.89 | CA1 (0.56) | MRGPRX1CTSDSTAT3NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL31037950 | 0.87 | CA1 (0.54) | MRGPRX1CTSDSTAT3NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL3284355 | 0.87 | CA1 (0.54) | MRGPRX1CTSDSTAT3NPC1RAB9A | |
| Acetic Acid SCHEMBL16815575 | 0.84 | HTT (0.54) | MRGPRX1CTSDSTAT3NPC1RAB9A | |
| SCHEMBL7723352 | 0.80 | LMNA (0.51) | MRGPRX1HTTSMN1; SMN2GAAALDH1A1 | |
| SCHEMBL27837570 | 0.77 | LMNA (0.63) | SMN1; SMN2ALDH1A1MAPTTSHRMAPK1 | |
| 1,2-Dimethoxybenzene SCHEMBL28862840 | 0.77 | CA1 (0.62) | CTSDCA12CA1CA2CA4 | |
| SCHEMBL11627837 | 0.76 | HCRTR1 (0.48) | KLK1KLK5KCNK3KCNK9GAA | |
| SCHEMBL4512781 | 0.75 | ALDH1A1 (0.52) | CA12CA1CA2CA4CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6391885-B1 | CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE | CELL PATHWAYS, INC. | 2002-05-21 | — | — | US | disclosed |
| US-6060477-A | Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives | CELL PATHWAYS, INC. (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0351058-B1 | PYRIMIDOPYRIMIDINE DERIVATIVES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |
| US-5162316-A | Pyrimido[4,5-d]pyrimidine derivatives for use as bronchodilators | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-11-10 | — | — | US | disclosed |
| EP-0351058-A1 | Pyrimidopyrimidine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-01-17 | — | — | EP | disclosed |