Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17675377 | 0.87 | TDP1 (0.53) | PDK1ALDH1A1TSHRCYP3A4RECQL | |
| Hydrochloric Acid SCHEMBL10956832 | 0.86 | ALDH1A1 (0.50) | PDK1ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL20855591 | 0.83 | ALDH1A1 (0.53) | PDK1ALDH1A1TSHRCYP3A4RECQL | |
| SCHEMBL8798263 | 0.81 | PDK1 (0.58) | PDK1ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL29749825 | 0.81 | PDK1 (0.58) | PDK1ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL6809251 | 0.81 | PDK1 (0.58) | PDK1ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL2211964 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4RECQLTDP1 | |
| SCHEMBL29453576 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP3A4RECQLTDP1 | |
| SCHEMBL11295773 | 0.80 | ALDH1A1 (0.63) | ALDH1A1TSHRCYP3A4RECQLTDP1 | |
| SCHEMBL19175613 | 0.80 | PDK1 (0.61) | PDK1ALDH1A1TSHRMAPK1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012162463-A1 | BENZOTHIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-11-29 | — | — | WO | disclosed |