Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | BBOX1 | O75936 | 4/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.41 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzenethiol SCHEMBL5608684 | 0.92 | TSHR (0.44) | TSHRBBOX1EHMT2EHMT1ALDH1A1 | |
| Benzenethiol SCHEMBL9488288 | 0.92 | TSHR (0.44) | TSHRBBOX1EHMT2EHMT1ALDH1A1 | |
| Benzenethiol SCHEMBL9291187 | 0.92 | TSHR (0.44) | TSHRBBOX1EHMT2EHMT1ALDH1A1 | |
| Benzenethiol SCHEMBL10683669 | 0.92 | — | — | |
| Benzenethiol SCHEMBL5608678 | 0.92 | TSHR (0.44) | TSHRBBOX1EHMT2EHMT1ALDH1A1 | |
| Benzenethiol SCHEMBL425159 | 0.92 | — | — | |
| Benzenethiol SCHEMBL11305238 | 0.92 | TSHR (0.44) | TSHRBBOX1EHMT2EHMT1ALDH1A1 | |
| Benzenethiol SCHEMBL1315353 | 0.92 | — | — | |
| Benzenethiol SCHEMBL9292290 | 0.92 | TSHR (0.44) | TSHRBBOX1EHMT2EHMT1ALDH1A1 | |
| Benzenethiol SCHEMBL11434220 | 0.92 | TSHR (0.44) | TSHRBBOX1EHMT2EHMT1ALDH1A1 |
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-7247654-B2 | 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-24 | — | — | US | disclosed |
| EP-1628947-A2 | 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-03-01 | — | — | EP | disclosed |
| US-20050009895-A1 | 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2005-01-13 | — | — | US | disclosed |
| WO-2004110374-A2 | 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-23 | — | — | 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-20050009895-A1 | 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors | TFPI, HABP2, TFPI2 | TSHR 3314/4885BBOX1 277/4885EHMT2 3584/4885 |
“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.