Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12841152 | 0.85 | ALDH1A1 (0.37) | DNM1ALDH1A1TDP1TSHRSMN1; SMN2 | |
| SCHEMBL14724919 | 0.82 | ALDH1A1 (0.39) | DNM1ALDH1A1TDP1TSHRSMN1; SMN2 | |
| SCHEMBL12005838 | 0.77 | ALDH1A1 (0.39) | DNM1ALDH1A1TDP1TSHRSMN1; SMN2 | |
| SCHEMBL25600749 | 0.76 | MAPT (0.43) | DNM1TSHROPRM1MAPT | |
| SCHEMBL22756700 | 0.75 | OPRM1 (0.46) | DNM1TSHROPRM1CA1MAPT | |
| SCHEMBL1780865 | 0.75 | ALDH1A1 (0.37) | DNM1ALDH1A1TDP1TSHRSMN1; SMN2 | |
| SCHEMBL16233631 | 0.74 | — | — | |
| SCHEMBL29017490 | 0.74 | — | — | |
| SCHEMBL27690588 | 0.74 | ALDH1A1 (0.40) | DNM1ALDH1A1TDP1TSHRSMN1; SMN2 | |
| SCHEMBL15238771 | 0.74 | DNM1 (0.39) | DNM1ALDH1A1TDP1TSHRSMN1; SMN2 |
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-2021150697-A1 | N-SUBSTITUTED-3-TRICYCLYL PIPERIDINE DERIVATIVES AS ANTICANCER AND NEUROPROTECTIVE AGENTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2021-07-29 | — | — | WO | disclosed |