Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA7 | P43166 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14409745 | 0.83 | TSHR (0.50) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL28926147 | 0.82 | CYP4F2 (0.43) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL31171420 | 0.81 | TSHR (0.60) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL31171418 | 0.81 | TSHR (0.60) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL28640884 | 0.81 | HSD17B10 (0.51) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL16302043 | 0.78 | TSHR (0.61) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL2269412 | 0.78 | TSHR (0.52) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL2964198 | 0.77 | HSD17B2 (0.56) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL4985115 | 0.77 | CA12 (0.54) | TSHRCYP3A4CA12CA1CA2 | |
| SCHEMBL11376853 | 0.77 | TSHR (0.38) | TSHRCYP3A4CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113493438-B | Tetrahydroisoquinoline compounds | 南京再明医药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113493438-A | Tetrahydroisoquinoline compounds | 江苏先声药业有限公司 | 2021-10-12 | — | — | CN | disclosed |