Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23568724 | 1.00 | TSHR (0.42) | TSHRCYP3A4AHRTP53HSD17B10 | |
| SCHEMBL15084219 | 0.82 | TSHR (0.48) | TSHRCYP3A4TP53HSD17B10ALDH1A1 | |
| SCHEMBL20048649 | 0.80 | SOS1 (0.38) | IDO1ALDH1A1 | |
| SCHEMBL10332785 | 0.77 | LMNA (0.44) | TSHRCYP3A4TP53TAAR1IDO1 | |
| SCHEMBL23568703 | 0.77 | LMNA (0.44) | TSHRCYP3A4TP53TAAR1IDO1 | |
| SCHEMBL23569839 | 0.77 | LMNA (0.44) | TSHRCYP3A4TP53TAAR1IDO1 | |
| SCHEMBL9629178 | 0.76 | AHR (0.40) | TSHRCYP3A4AHRTP53HSD17B10 | |
| SCHEMBL8262180 | 0.76 | TDP1 (0.38) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL34468490 | 0.75 | LMNA (0.42) | TSHRCYP3A4TP53TAAR1IDO1 | |
| SCHEMBL8274402 | 0.70 | ALDH1A1 (0.44) | TSHRCYP3A4PNMTTAAR1IDO1 |
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-2021123237-A1 | 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | Oxford Drug Design Limited (GB) | 2021-06-24 | — | — | WO | disclosed |