Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | SELE | P16581 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | BCL9 | O00512 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15211611 | 0.88 | CYP3A4 (0.40) | CYP3A4TSHRSMN1; SMN2NFKB1LMNA | |
| SCHEMBL28073642 | 0.78 | ALOX15 (0.40) | ALOX15LMNAALDH1A1KMT2AKDM4E | |
| SCHEMBL9751544 | 0.76 | ALOX15 (0.43) | ALOX15LMNAALDH1A1KMT2AKDM4E | |
| SCHEMBL28073629 | 0.75 | PKM (0.40) | CYP3A4TSHRALOX15SMN1; SMN2LMNA | |
| SCHEMBL17431395 | 0.73 | CYP3A4 (0.36) | CYP3A4TSHRSMN1; SMN2NFKB1ALDH1A1 | |
| SCHEMBL27992465 | 0.70 | KMT2A (0.40) | ALOX15SMN1; SMN2LMNAALDH1A1KMT2A | |
| SCHEMBL23318973 | 0.67 | HIF1A (0.67) | CYP3A4TSHRALOX15SMN1; SMN2NFKB1 | |
| SCHEMBL28073802 | 0.66 | KMT2A (0.41) | CYP3A4ALOX15SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL6063686 | 0.65 | ALOX15 (0.49) | ALOX15LMNAALDH1A1KMT2AKDM4E | |
| SCHEMBL4478675 | 0.64 | CYP2A6 (0.49) | SMN1; SMN2LMNAALDH1A1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104254525-B | aromatic ring compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |