Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 2/20 | 0.30 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
| ▸ | PHGDH | O43175 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | FBP1 | P09467 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25690078 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL10660748 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL10661213 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL37699 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL10658257 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL25231611 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL329111 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL2558338 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL20664588 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 | |
| SCHEMBL2554891 | 0.69 | ALDH1A1 (0.55) | ALDH1A1TGM2HPGDMMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3318565-A1 | PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES | Pfizer Inc (US) | 2018-05-09 | — | — | EP | disclosed |