Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.49 |
| ▸ | JAK1 | P23458 | 1/20 | 0.49 |
| ▸ | TYK2 | P29597 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19308446 | 0.87 | TP53 (0.51) | RAB9AMEN1KMT2ANPC1CYP2C19 | |
| SCHEMBL19308461 | 0.85 | MEN1 (0.50) | TSHRPOLBMEN1KMT2ACYP2C19 | |
| SCHEMBL30174292 | 0.83 | KCNH2 (0.45) | MEN1KMT2AL3MBTL1KCNH2GRM5 | |
| SCHEMBL25528971 | 0.83 | KCNH2 (0.45) | MEN1KMT2AL3MBTL1KCNH2GRM5 | |
| SCHEMBL30174284 | 0.82 | TSHR (0.52) | TSHRPOLBGAAMEN1KMT2A | |
| SCHEMBL25528964 | 0.82 | TSHR (0.52) | TSHRPOLBGAAMEN1KMT2A | |
| SCHEMBL18328439 | 0.82 | LMNA (0.56) | RAB9APOLBNPC1CYP2D6CYP2C19 | |
| SCHEMBL631091 | 0.81 | JAK2 (0.68) | TSHRRAB9ACYP3A4POLBNR4A1 | |
| SCHEMBL18899922 | 0.81 | SMARCA2 (0.58) | TSHRRAB9ACYP3A4POLBNR4A1 | |
| SCHEMBL16305244 | 0.81 | KDM4E (0.47) | RAB9APOLBJAK2JAK1TYK2 |
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-9593095-B2 | Methods for the treatment of bacterial infections | DUKE UNIVERSITY (US) | 2017-03-14 | — | — | US | disclosed |