Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.48 |
| ▸ | CCR4 | P51679 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL6963577 | 0.86 | ALDH1A1 (0.54) | TSHRKMT2AMEN1GAA | |
| SCHEMBL4723427 | 0.78 | SPHK1 (0.66) | KMT2AMEN1 | |
| SCHEMBL518686 | 0.76 | NPC1 (0.71) | TSHRKMT2AMEN1GAANPC1 | |
| SCHEMBL8318482 | 0.76 | SPHK1 (0.54) | TSHRKMT2AMEN1GAANPC1 | |
| Carbamic Acid SCHEMBL6249677 | 0.75 | TSHR (0.63) | TSHRKMT2AMEN1SIGMAR1 | |
| SCHEMBL8186463 | 0.75 | SPHK1 (0.48) | TSHRKMT2AMEN1GAACCR4 | |
| Hydrochloric Acid SCHEMBL5712502 | 0.75 | NPC1 (0.70) | TSHRKMT2AMEN1GAANPC1 | |
| Hydrochloric Acid SCHEMBL8323987 | 0.75 | SPHK1 (0.53) | TSHRKMT2AMEN1GAANPC1 | |
| SCHEMBL408684 | 0.74 | SPHK1 (0.71) | OPRL1CCR4OPRM1 | |
| SCHEMBL408685 | 0.74 | SPHK1 (0.71) | OPRL1CCR4OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100797-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LTD (GB) | 2003-02-26 | — | — | EP | disclosed |