Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MARS2 | Q96GW9 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RPLP1 | P05386 | 1/20 | 0.43 |
| ▸ | RPLP0 | P05388 | 1/20 | 0.43 |
| ▸ | RPS17 | P08708 | 1/20 | 0.43 |
| ▸ | RPSA | P08865 | 1/20 | 0.43 |
| ▸ | RPS2 | P15880 | 1/20 | 0.43 |
| ▸ | RPL35A | P18077 | 1/20 | 0.43 |
| ▸ | RPL7 | P18124 | 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 | |
|---|---|---|---|---|
| SCHEMBL5164396 | 0.81 | ACHE (0.42) | ALDH1A1TSHRCYP3A4LMNASMN1; SMN2 | |
| SCHEMBL28306985 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP3A4LMNASMN1; SMN2 | |
| SCHEMBL2461330 | 0.81 | IGF1R (0.37) | ALDH1A1LMNAKDM4EMAPTMEN1 | |
| SCHEMBL2461283 | 0.81 | IGF1R (0.37) | ALDH1A1LMNAKDM4EMAPTMEN1 | |
| SCHEMBL3336779 | 0.80 | GSR (0.55) | ALDH1A1LMNASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL867120 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4LMNASMN1; SMN2 | |
| SCHEMBL15617659 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4LMNASMN1; SMN2 | |
| SCHEMBL28436171 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TSHRCYP3A4LMNASMN1; SMN2 | |
| SCHEMBL1023275 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TSHRCYP3A4LMNASMN1; SMN2 | |
| SCHEMBL27857585 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TSHRCYP3A4LMNASMN1; 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-2005073389-A1 | METHOD FOR PRODUCING β-HYDROXY NITRO COMPOUNDS MADE FROM ALDEHYDES AND NITROALKANES WHILE USING A HYDROXY NITRILE LYASE | ANGEWANDTE BIOKATALYSE-KOMPETENZZENTRUM GMBH (AT) | 2005-08-11 | — | — | WO | disclosed |