Known targets — ChEMBL curated mechanism
KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2
The experimentally established mechanism targets of Guanidine. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.53 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | PTGIR | P43119 | 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 | |
|---|---|---|---|---|
| SCHEMBL56203 | 0.89 | CA1 (0.60) | CA1CA2PARP10PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL11840046 | 0.87 | CA1 (0.58) | CA1CA2PARP10PARP1PARP2 | |
| 1,4-Dimethoxybenzene SCHEMBL27658884 | 0.85 | CA1 (0.59) | CA1CA2PARP10PRSS1PRSS2 | |
| SCHEMBL8991731 | 0.85 | GAA (0.56) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL6223461 | 0.83 | ESR2 (0.56) | CA1CA2ALDH1A1GAASMN1; SMN2 | |
| Guanidine SCHEMBL4786082 | 0.81 | PARP10 (0.46) | PARP10PRSS1ALDH1A1GAAACR | |
| Guanidine SCHEMBL6814628 | 0.80 | KMT2A (0.44) | PARP10PRSS1PRSS2PRSS3ALDH1A1 | |
| Guanidine SCHEMBL7467156 | 0.80 | ELANE (0.46) | CA1CA2LMNACYP1A2CYP2C19 | |
| SCHEMBL731242 | 0.79 | CA1 (0.61) | CA1CA2PARP10PRSS1PRSS2 | |
| SCHEMBL1690741 | 0.78 | LMNA (0.66) | CA1CA2PARP10PRSS1PARP1 |
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-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-0233461-B1 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 1996-03-20 | — | — | EP | disclosed |
| US-4876252-A | ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN | AMERICAN CYANAMID COMPANY (US) | 1989-10-24 | — | — | US | disclosed |
| US-4788195-A | TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS | AMERICAN CYANAMID COMPANY (US) | 1988-11-29 | — | — | US | disclosed |
| EP-0233461-A2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID COMPANY (US) | 1987-08-26 | — | — | EP | disclosed |