Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4480 | 0.94 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL3127305 | 0.94 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL29357701 | 0.94 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL19469303 | 0.92 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL138533 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL2502467 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL199961 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| Hydrochloric Acid SCHEMBL2857411 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL1991572 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| Bromide SCHEMBL3688252 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0516982-B1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL IND LTD (JP) | 1998-09-16 | — | — | EP | disclosed |
| US-5283341-A | Catalytic alkylation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0516982-A1 | Process for producing a heterocyclic tertiary amine | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |