Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 7/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3613563 | 0.81 | TSHR (0.50) | TSHRACHETDP1NPC1MAPT | |
| SCHEMBL9508337 | 0.79 | TSHR (0.55) | TSHRACHETDP1NPC1MAPT | |
| SCHEMBL9504874 | 0.79 | TSHR (0.62) | TSHRACHETDP1NPC1MAPT | |
| P-Xylene SCHEMBL19859054 | 0.77 | ACHE (0.53) | TSHRACHETDP1CA1CA2 | |
| SCHEMBL1474297 | 0.77 | ALDH1A1 (0.42) | TSHRCA1CA2CA9ALDH1A1 | |
| SCHEMBL10840347 | 0.77 | MEN1 (0.52) | TSHRNPC1MAPTRAB9ACYP19A1 | |
| SCHEMBL8947458 | 0.77 | — | — | |
| SCHEMBL3581195 | 0.77 | CYP2A6 (0.40) | TSHRNPC1MAPTRAB9ACA1 | |
| SCHEMBL8784448 | 0.76 | TSHR (0.50) | TSHRACHETDP1NPC1MAPT | |
| SCHEMBL21823968 | 0.76 | TSHR (0.50) | TSHRACHETDP1NPC1MAPT |
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-0975570-B1 | PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES | COGNIS DEUTSCHLAND GMBH (DE) | 2002-09-04 | — | — | EP | disclosed |