Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.59 |
| ▸ | HTT | P42858 | 4/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5807368 | 0.81 | ALDH1A1 (0.64) | ALDH1A1KDM4EHTTPOLBPKM | |
| SCHEMBL5807546 | 0.78 | NPSR1 (0.70) | ALDH1A1KDM4EHTTPOLBPKM | |
| SCHEMBL19079792 | 0.70 | ALDH1A1 (0.75) | ALDH1A1KDM4EHTTPOLBPKM | |
| SCHEMBL5805451 | 0.70 | ALDH1A1 (0.77) | ALDH1A1KDM4EHTTPOLBSMN1; SMN2 | |
| SCHEMBL19079795 | 0.69 | ALDH1A1 (0.80) | ALDH1A1KDM4EHTTPOLBPKM | |
| SCHEMBL5804877 | 0.67 | NPSR1 (0.65) | ALDH1A1KDM4EHTTPOLBPKM | |
| SCHEMBL5805038 | 0.67 | POLB (0.64) | ALDH1A1KDM4EHTTPOLBPKM | |
| SCHEMBL5819054 | 0.66 | KDM4E (0.70) | ALDH1A1KDM4EHTTPOLBL3MBTL1 | |
| SCHEMBL3760650 | 0.64 | GLA (1.00) | ALDH1A1KDM4EHTTPOLBPKM | |
| SCHEMBL19079794 | 0.62 | NPSR1 (0.68) | ALDH1A1KDM4EHTTPOLBPKM |
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-2006093518-A2 | THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS | APATH, LLC (US) | 2006-09-08 | — | — | WO | disclosed |