Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6625380 | 0.86 | ALDH1A1 (0.38) | ALDH1A1HTTALOX15KDM4EMEN1 | |
| SCHEMBL2808546 | 0.80 | ALDH1A1 (0.44) | ALDH1A1HTTALOX15KDM4ERECQL | |
| SCHEMBL6624020 | 0.80 | KDM4E (0.42) | ALDH1A1HTTALOX15KDM4EMEN1 | |
| Phthalic Acid SCHEMBL29248354 | 0.76 | ALDH1A1 (0.67) | ALDH1A1ALOX15KDM4EMEN1RECQL | |
| Phthalic Acid SCHEMBL3775119 | 0.76 | ALDH1A1 (0.67) | ALDH1A1ALOX15KDM4EMEN1RECQL | |
| SCHEMBL11224841 | 0.71 | ALDH1A1 (0.57) | ALDH1A1KDM4EMEN1RECQLKMT2A | |
| Phthalic Acid SCHEMBL9676672 | 0.69 | ALDH1A1 (0.54) | ALDH1A1HTTALOX15KDM4EMEN1 | |
| SCHEMBL3526213 | 0.69 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1RECQLKMT2A | |
| Isophthalic Acid SCHEMBL3781254 | 0.68 | LTB4R (0.49) | ALDH1A1TSHR | |
| Phthalic Acid SCHEMBL1309164 | 0.67 | ALDH1A1 (0.61) | ALDH1A1ALOX15KDM4EMEN1RECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0960108-A1 | MATRIX METALLOPROTEINASE INHIBITORS | PHARMACIA & UPJOHN S.p.A. (IT) | 1999-12-01 | — | — | EP | disclosed |
| WO-1998033788-A1 | MATRIX METALLOPROTEINASE INHIBITORS | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-08-06 | — | — | WO | disclosed |