Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.43 |
| ▸ | NPC1 | O15118 | 8/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24340830 | 0.92 | KDM4E (0.47) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL22810896 | 0.89 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL26263777 | 0.85 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL26714142 | 0.85 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL31671373 | 0.85 | ALDH1A1 (0.44) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL26269978 | 0.83 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL16056286 | 0.83 | ABCG2 (0.48) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL31671377 | 0.80 | ALDH1A1 (0.40) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL24340758 | 0.80 | NOTUM (0.41) | ALDH1A1GAAKDM4ENPC1RAB9A | |
| SCHEMBL24450317 | 0.78 | NOTUM (0.45) | ALDH1A1GAAKDM4ENPC1RAB9A |
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-2014144878-A2 | NOVEL THIOL & AMINO MODIFYING REAGENTS FOR PROTEIN CHEMISTRY AND METHODS OF USE THEREOF | THE SCRIPPS RESEARCH INSTITUTE (US) | 2014-09-18 | — | — | WO | disclosed |