Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL19716912 | 0.87 | ALDH1A1 (0.43) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL1437488 | 0.79 | ALDH1A1 (0.31) | ALDH1A1GAACYP2C9KDM4E | |
| SCHEMBL18114027 | 0.70 | — | — | |
| SCHEMBL17080379 | 0.70 | ALDH1A1 (0.41) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL5421812 | 0.70 | MGAM (0.36) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL565895 | 0.70 | ALDH1A1 (0.41) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL13664237 | 0.70 | ALDH1A1 (0.52) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL8782964 | 0.70 | ALDH1A1 (0.47) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL11232900 | 0.70 | ALDH1A1 (0.38) | ALDH1A1TSHRMGAMGAASI | |
| Water SCHEMBL27411605 | 0.69 | ALDH1A1 (0.47) | ALDH1A1TSHRMGAMGAASI |
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 |
|---|---|---|---|---|---|---|---|
| US-5593997-A | 4-aminopyrazolo(3-,4-D)pyrimidine and 4-aminopyrazolo-(3,4-D)pyridine tyrosine kinase inhibitors | PFIZER INC. (US) | 1997-01-14 | — | — | US | disclosed |