Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19851224 | 0.85 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL19851219 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL17469336 | 0.79 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL19997538 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL8867884 | 0.79 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL8867893 | 0.76 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL3976381 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL13201378 | 0.75 | IDO1 (0.64) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 | |
| SCHEMBL24961320 | 0.74 | PTPN1 (0.60) | ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19 | |
| SCHEMBL11550071 | 0.72 | MAPT (0.67) | ALDH1A1SMN1; SMN2MAPTGAACYP1A2 |
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-2018026538-A1 | NOVEL SCAFFOLDS FOR INTRACELLULAR COMPOUND DELIVERY FOR THE DETECTION OF CANCER CELLS | ISI Life Sciences Inc. (US) | 2018-02-08 | — | — | WO | disclosed |