Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 4/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3980398 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HPGDIDO1ACEAGXT | |
| SCHEMBL4266630 | 0.82 | ALDH1A1 (0.33) | ALDH1A1HPGDACEKMT2AMEN1 | |
| SCHEMBL503485 | 0.77 | TAAR1 (0.33) | IDO1AGXT | |
| SCHEMBL503098 | 0.77 | TAAR1 (0.33) | IDO1AGXT | |
| SCHEMBL4261907 | 0.76 | MEN1 (0.33) | ALDH1A1HPGDACEKMT2AMEN1 | |
| SCHEMBL4261903 | 0.75 | ALDH1A1 (0.30) | ALDH1A1HPGD | |
| SCHEMBL4265365 | 0.75 | ALDH1A1 (0.30) | ALDH1A1HPGD | |
| SCHEMBL5696917 | 0.75 | ALDH1A1 (0.35) | ALDH1A1HPGDACEKMT2AMEN1 | |
| SCHEMBL23215033 | 0.74 | IDO1 (0.35) | IDO1AGXT | |
| SCHEMBL6124751 | 0.74 | IDO1 (0.35) | IDO1AGXT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663958-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2015-02-25 | — | — | EP | disclosed |
| US-7547701-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-06-16 | — | — | US | disclosed |
| US-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-08-18 | — | — | 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 (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-20050182096-A1 | Haloalkyl containing compounds as cysteine protease inhibitors | CTSF, CTSS, CTSE | ALDH1A1 1944/4885HPGD 1182/4885IDO1 3748/4885 |
“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.