Known targets — ChEMBL curated mechanism
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Acetamidine SCHEMBL6287555 | 0.82 | BLM (0.43) | CA2TSHRUSP2CA1NPSR1 | |
| SCHEMBL2773032 | 0.81 | TSHR (0.53) | CA2TSHRUSP2ALDH1A1CA1 | |
| SCHEMBL27259142 | 0.80 | TSHR (0.50) | CA2TSHRUSP2ALDH1A1CA1 | |
| SCHEMBL5991 | 0.80 | — | — | |
| SCHEMBL27346657 | 0.80 | TSHR (0.50) | CA2TSHRUSP2ALDH1A1CA1 | |
| SCHEMBL27308161 | 0.80 | TSHR (0.50) | CA2TSHRUSP2ALDH1A1CA1 | |
| SCHEMBL6737394 | 0.80 | KDM4E (0.42) | CA2TSHRUSP2CA1NPSR1 | |
| Guanidine SCHEMBL3047699 | 0.79 | KDM4E (0.46) | CA2TSHRUSP2CA1NPSR1 | |
| Acetone SCHEMBL27777446 | 0.78 | LMNA (0.43) | CA2TSHRUSP2ALDH1A1CA1 | |
| Dimethylamine SCHEMBL128284 | 0.78 | — | — |
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-20050043403-A1 | N-unsubstituted amidinium salts | KRAUS HELMUT (DE) | 2005-02-24 | — | — | US | claimed |
| US-20030060653-A1 | N-unsubstituted amidinium salts | BAYER AKTIENGESELLSCHAFT (DE) | 2003-03-27 | — | — | US | claimed |
| US-20050043403-A1 | N-unsubstituted amidinium salts | KRAUS HELMUT (DE) | 2005-02-24 | — | — | US | disclosed |
| US-6841696-B2 | N-unsubstituted amidinium salts | BAYER AKTIENGESELLSCHAFT (DE) | 2005-01-11 | — | — | US | disclosed |
| US-20030060653-A1 | N-unsubstituted amidinium salts | BAYER AKTIENGESELLSCHAFT (DE) | 2003-03-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030060653-A1 | N-unsubstituted amidinium salts | ASNS, ASS1, STS | CA2 1077/4885TSHR 2621/4885USP2 1463/4885 |
| US-20050043403-A1 | N-unsubstituted amidinium salts | ASNS, ASS1, STS | CA2 1077/4885TSHR 2621/4885USP2 1463/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.