Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | F2RL3 | Q96RI0 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4007277 | 0.82 | POLB (0.45) | ALDH1A1RAB9AKDM4EKMT2AMEN1 | |
| SCHEMBL4009282 | 0.80 | ALDH1A1 (0.49) | ALDH1A1RAB9AKDM4EKMT2AMEN1 | |
| SCHEMBL3944321 | 0.70 | DHODH (0.48) | ALDH1A1RAB9AKDM4EKMT2AMEN1 | |
| SCHEMBL5887248 | 0.68 | ALDH1A1 (0.37) | ALDH1A1RAB9AKDM4EMAPTLMNA | |
| SCHEMBL5722935 | 0.68 | RAB9A (0.64) | ALDH1A1RAB9AKDM4EKMT2AMEN1 | |
| SCHEMBL8640563 | 0.67 | KAT6A (0.35) | ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL5584839 | 0.67 | ALDH1A1 (0.48) | ALDH1A1RAB9AKDM4EKMT2AMEN1 | |
| SCHEMBL8125229 | 0.66 | METAP2 (0.38) | ADORA2AADORA1 | |
| SCHEMBL7685104 | 0.66 | GPR3 (0.39) | — | |
| SCHEMBL1069573 | 0.65 | GPR3 (0.38) | RAB9ASMN1; SMN2LMNANPC1ADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781617-A4 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-24 | — | — | EP | disclosed |
| EP-1781617-A2 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006004742-A2 | α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARAMCEUTICA N.V. (BE) | 2006-01-12 | — | — | WO | disclosed |