Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR3 | P32745 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | PTPRB | P23467 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4504153 | 0.92 | SSTR3 (0.32) | SSTR3AAK1ALDH1A1JAK2LMNA | |
| SCHEMBL4500597 | 0.90 | KLKB1 (0.30) | — | |
| SCHEMBL13756203 | 0.88 | AAK1 (0.34) | SSTR3AAK1ALDH1A1JAK2LMNA | |
| SCHEMBL13756225 | 0.86 | CALCRL (0.34) | SSTR3AAK1ALDH1A1JAK2LMNA | |
| SCHEMBL13756200 | 0.83 | ATM (0.34) | AAK1 | |
| SCHEMBL4505686 | 0.82 | — | — | |
| SCHEMBL13756201 | 0.82 | CTSK (0.35) | — | |
| SCHEMBL13756202 | 0.82 | KLK5 (0.39) | — | |
| SCHEMBL13756209 | 0.79 | CALCRL (0.36) | AAK1ALDH1A1JAK2LMNAHPGD | |
| SCHEMBL13756231 | 0.79 | CALCRL (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7569578-B2 | Heterocyclic anti-migraine agents | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2009-08-04 | — | — | US | disclosed |