Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 5/20 | 0.47 |
| ▸ | MMP2 | P08253 | 4/20 | 0.47 |
| ▸ | MMP9 | P14780 | 4/20 | 0.47 |
| ▸ | MMP8 | P22894 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29951153 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MMP13MMP2MMP9MMP8 | |
| SCHEMBL9653509 | 0.86 | TUBB4A (0.39) | ALDH1A1CYP2A6KDM4EMAPTHTT | |
| SCHEMBL29954586 | 0.79 | ALPL (0.51) | EGLN1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL29953188 | 0.79 | MAPT (0.57) | ALDH1A1LMNARAB9AKDM4EGLA | |
| SCHEMBL28030295 | 0.79 | ADAMTS5 (0.55) | ALDH1A1MMP13MMP2MMP9MMP8 | |
| SCHEMBL1335316 | 0.79 | ALPL (0.51) | EGLN1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL29951338 | 0.79 | ALDH1A1 (0.56) | ALDH1A1LMNARAB9AKDM4EGLA | |
| SCHEMBL29955076 | 0.78 | TUBB4A (0.68) | ALDH1A1LMNARAB9AKDM4EMAPT | |
| SCHEMBL19528036 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MMP13MMP2MMP9MMP8 | |
| SCHEMBL18765292 | 0.75 | ALDH1A1 (0.54) | ALDH1A1LMNARAB9AEGLN1KDM4E |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |