Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | C1R | P00736 | 2/20 | 0.48 |
| ▸ | APEX1 | P27695 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL916072 | 0.89 | ALDH1A1 (0.46) | ALDH1A1KDM4EC1RSMN1; SMN2POLB | |
| SCHEMBL28841248 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2POLBNPC1 | |
| SCHEMBL914127 | 0.81 | KLK7 (0.51) | ALDH1A1KDM4ESMN1; SMN2POLBHTT | |
| SCHEMBL29878650 | 0.77 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2POLBNPC1 | |
| SCHEMBL28841229 | 0.77 | ALDH1A1 (0.43) | ALDH1A1KDM4ESMN1; SMN2POLBNPC1 | |
| SCHEMBL29879138 | 0.76 | ELANE (0.53) | ALDH1A1KDM4ESMN1; SMN2POLBNPC1 | |
| SCHEMBL28841240 | 0.76 | ELANE (0.53) | ALDH1A1KDM4ESMN1; SMN2POLBNPC1 | |
| SCHEMBL2328301 | 0.72 | ALDH1A1 (0.63) | ALDH1A1KDM4EC1RAPEX1SMN1; SMN2 | |
| SCHEMBL28497129 | 0.71 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2POLBNPC1 | |
| SCHEMBL2704120 | 0.70 | C1R (0.68) | ALDH1A1KDM4EC1RAPEX1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-110452234-B | Schiff base derivative containing trifluoromethyl pyridine dicarboxamide and application thereof | 贵州大学 | 2022-09-23 | — | — | CN | disclosed |