Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | GALK1 | P51570 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19942395 | 0.69 | PKM (0.36) | PKM | |
| SCHEMBL20356713 | 0.68 | PKM (0.42) | PKM | |
| SCHEMBL612717 | 0.66 | ALDH1A1 (0.60) | KDM4ESMN1; SMN2MAPTLMNAKMT2A | |
| SCHEMBL23095745 | 0.64 | MAPT (0.42) | ADRB2KDM4ESMN1; SMN2MAPTKMT2A | |
| SCHEMBL5188867 | 0.64 | GRIN2D (0.43) | SMN1; SMN2LMNAHTTCYP1A2ALDH1A1 | |
| SCHEMBL6028075 | 0.64 | ALDH1A1 (0.41) | KDM4EMAPTLMNAKMT2ANPC1 | |
| SCHEMBL15581118 | 0.63 | ACHE (0.40) | MAPTLMNATHRBCYP1A2CYP2D6 | |
| SCHEMBL13889155 | 0.62 | TSHR (0.31) | TSHR | |
| SCHEMBL20848218 | 0.61 | HPGD (0.31) | KMT2AMEN1TSHR | |
| SCHEMBL18944175 | 0.61 | ESR1 (0.50) | SMN1; SMN2MAPTNPC1RAB9A |
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-2021071806-A1 | ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |