Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1003772 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TDP1L3MBTL1MAPK1SLC6A2 | |
| SCHEMBL1003773 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TDP1L3MBTL1MAPK1SLC6A2 | |
| SCHEMBL3105664 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL1516856 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL22492382 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL13391450 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL19007840 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8504139 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8063402 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8063405 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2772480-B2 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2020-12-09 | — | — | EP | disclosed |
| EP-2772480-B1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO (JP) | 2018-05-23 | — | — | EP | disclosed |
| US-9199959-B2 | HIV replication inhibitor | SHIONOGI & CO., LTD. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-20140249306-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2014-09-04 | — | — | US | disclosed |
| EP-2772480-A1 | HIV REPLICATION INHIBITOR | Shionogi & Co., Ltd. (JP) | 2014-09-03 | — | — | EP | disclosed |
| US-20050209284-A1 | Tec kinase inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-09-22 | — | — | US | disclosed |
| WO-2005079791-A1 | THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-09-01 | — | — | 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 (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-20140249306-A1 | HIV REPLICATION INHIBITOR | SSU72, RTF2, ZC3HAV1 | ALDH1A1 4579/4885CA12 4816/4885CA1 4837/4885 |
| US-20050209284-A1 | Tec kinase inhibitors | TEC, ITK, TXK | ALDH1A1 3145/4885CA12 4559/4885CA1 3824/4885 |
“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.