Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DDX3X | O00571 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24083642 | 0.81 | NLRP3 (0.41) | NLRP3ALDH1A1SMN1; SMN2HSD17B10KMT2A | |
| SCHEMBL2927023 | 0.76 | KMT2A (0.46) | NLRP3ALDH1A1SMN1; SMN2HSD17B10KMT2A | |
| SCHEMBL17965603 | 0.75 | ALDH1A1 (0.42) | NLRP3ALDH1A1POLBHTTMDM2 | |
| SCHEMBL18013071 | 0.74 | CYP3A4 (0.37) | NLRP3ALDH1A1SMN1; SMN2HSD17B10KMT2A | |
| SCHEMBL8750664 | 0.68 | NPC1 (0.36) | ALDH1A1SMN1; SMN2POLBHTTRAB9A | |
| SCHEMBL28548518 | 0.65 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2KMT2AMEN1HTT | |
| SCHEMBL13696429 | 0.64 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP3A4TSHRMAPT | |
| SCHEMBL8251529 | 0.64 | DAO (0.43) | SMN1; SMN2RAB9A | |
| SCHEMBL14661925 | 0.64 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2HSD17B10KMT2APOLB | |
| SCHEMBL13638978 | 0.64 | SKP2 (0.55) | ALDH1A1HSD17B10KMT2APOLBMEN1 |
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-3253749-B1 | COMPOUNDS WITH ANTI-TUMORAL ACTIVITY | AB SCIENCE (FR) | 2021-12-08 | — | — | EP | disclosed |