Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4951056 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KMT2AGAASMN1; SMN2LMNA | |
| SCHEMBL28812027 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KMT2AGLASMN1; SMN2LMNA | |
| SCHEMBL31096936 | 0.80 | ALDH1A1 (0.59) | ALDH1A1KMT2AGLAGAASMN1; SMN2 | |
| SCHEMBL10006159 | 0.80 | RAB9A (0.43) | ALDH1A1KMT2AGLASMN1; SMN2NPC1 | |
| SCHEMBL15372155 | 0.79 | TAS1R3 (0.39) | ALDH1A1KMT2AGLAGAASMN1; SMN2 | |
| SCHEMBL29098428 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KMT2AGLAGAASMN1; SMN2 | |
| SCHEMBL16973542 | 0.77 | PLA2G2C (0.43) | ALDH1A1KMT2AGLAGAASMN1; SMN2 | |
| SCHEMBL16973544 | 0.77 | ACHE (0.54) | ALDH1A1LMNACYP2C9TSHRALB | |
| SCHEMBL20983532 | 0.77 | FKBP1A (0.42) | ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL11380594 | 0.77 | CA1 (0.63) | KMT2ANPC1RAB9ALMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2227087-A1 | CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION | The Scripps Research Institute (US) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009064908-A1 | CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-05-22 | — | — | WO | disclosed |