Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952084 | 0.76 | CA1 (0.36) | ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL29956543 | 0.76 | ALDH1A1 (0.43) | ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL29953017 | 0.76 | TSHR (0.46) | ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL29957325 | 0.72 | KMT2A (0.38) | RAB9ASMN1; SMN2NPC1CA1CA2 | |
| SCHEMBL2556147 | 0.72 | KMT2A (0.38) | ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL29951557 | 0.72 | RAB9A (0.43) | ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL15738778 | 0.71 | ENPP2 (0.44) | ENPP2CA1CA2MGLL | |
| SCHEMBL29952791 | 0.71 | DAO (0.38) | ALDH1A1 | |
| Methyl Alcohol SCHEMBL29261078 | 0.70 | CYP2C19 (0.56) | ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL18384418 | 0.70 | CA1 (0.36) | ALDH1A1KDM4EENPP2CA1CA2 |
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 |