Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | PKM | P14618 | 3/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7651631 | 0.82 | TSHR (0.68) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL3282365 | 0.81 | TSHR (0.67) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL12719703 | 0.80 | TSHR (0.65) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| Hydrochloric Acid SCHEMBL1626620 | 0.79 | TSHR (0.64) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL12656171 | 0.78 | PKM (0.77) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL8179953 | 0.77 | TSHR (0.63) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL2586920 | 0.77 | TSHR (0.62) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL12090158 | 0.76 | PKM (0.63) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM | |
| SCHEMBL693455 | 0.76 | KMT2A (1.00) | TSHRMAPK1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL12719695 | 0.75 | ALDH1A1 (0.62) | TSHRMAPK1ALDH1A1SMN1; SMN2PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140834-A1 | HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035877-A1 | HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-06-22 | — | — | WO | disclosed |