Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9585491 | 0.78 | CA2 (0.52) | CA2CA1CA12CA3CA6 | |
| SCHEMBL2369004 | 0.76 | CA2 (0.50) | CA2CA1CA12CA3CA6 | |
| SCHEMBL1029790 | 0.76 | CA2 (0.61) | CA2CA1CA12CA3CA6 | |
| SCHEMBL16527195 | 0.76 | CA2 (0.50) | CA2CA1CA12CA3CA6 | |
| SCHEMBL28879880 | 0.76 | CA2 (0.50) | CA2CA1CA12CA3CA6 | |
| SCHEMBL7532498 | 0.76 | CA2 (0.50) | CA2CA1CA12CA3CA6 | |
| SCHEMBL2396144 | 0.76 | CA2 (0.54) | CA2CA1CA12CA3CA6 | |
| SCHEMBL235410 | 0.74 | CA2 (0.48) | CA2CA1CA12CA3CA6 | |
| SCHEMBL21783612 | 0.74 | CA2 (0.58) | CA2CA1CA12CA3CA6 | |
| SCHEMBL4078022 | 0.74 | CA2 (0.58) | CA2CA1CA12CA3CA6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613930-B2 | Contacting 2-amino-4-nitrotoluene with HR/NaNO3 followed by heating; hydrogenation to reduce nitro group to amino group; reacting with NaNO2/HCl; adding cyanate source; oxidation to obtain 4-cyanobenzoic acid derivative | MILLENNIUM PHARMACEUTICALS, INC. | 2003-09-02 | — | — | US | disclosed |
| EP-1244613-A2 | METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES | MILLENIUM PHARMACEUTICALS, INC. (US) | 2002-10-02 | — | — | EP | disclosed |
| US-20020072626-A1 | Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds | COR THERAPEUTICS, INC. | 2002-06-13 | — | — | US | disclosed |
| WO-2001042198-A2 | METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES | MILLENIUM PHARMACEUTICALS, INC. (US) | 2001-06-14 | — | — | WO | 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 (1 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-20020072626-A1 | Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds | PFKP, PCCA, TBXAS1 | CA2 226/4885CA1 1002/4885CA12 1196/4885 |
“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.