Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.36 |
| ▸ | GGT1 | P19440 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27649890 | 0.81 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2MAPTHPGDNPC1 | |
| Ethyl Acetate SCHEMBL1651993 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTNPC1GAA | |
| SCHEMBL64221 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1SLC18A3TSHR | |
| SCHEMBL887521 | 0.77 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1SLC18A3TSHR | |
| Bromide SCHEMBL29016324 | 0.77 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1SLC18A3TSHR | |
| SCHEMBL18295996 | 0.75 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MAPTHPGDNPC1 | |
| SCHEMBL5076288 | 0.75 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MAPTHPGDNPC1 | |
| SCHEMBL3794162 | 0.75 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPTMAPK1L3MBTL1 | |
| SCHEMBL5076286 | 0.75 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MAPTHPGDNPC1 | |
| Acetic Acid Methyl Ester SCHEMBL1399932 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MAPTNPC1GAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-103237795-A | Substituted oxadiazole compounds and their use as S1P1Use of agonists | BRISTOL MYERS SQUIBB CO | 2013-08-07 | — | — | CN | disclosed |
| US-20020082280-A1 | Method of inhibiting neoplastic cells with benzimidazole derivatives | OSI PHARMACEUTICALS, INC. | 2002-06-27 | — | — | US | disclosed |
| US-6348032-B1 | POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. | CELL PATHWAYS, INC. | 2002-02-19 | — | — | 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-20020082280-A1 | Method of inhibiting neoplastic cells with benzimidazole derivatives | MKI67, CCNI, TMBIM6 | ALDH1A1 487/4885SMN1; SMN2 4367/4885MAPT 4390/4885 |
“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.