Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11542230 | 0.89 | ALDH1A1 (0.49) | CAPN1CA1CA2TSHRLMNA | |
| SCHEMBL11543540 | 0.88 | ALDH1A1 (0.48) | CAPN1CA1CA2TSHRL3MBTL1 | |
| SCHEMBL11544239 | 0.86 | HPGD (0.50) | TSHRLMNAHPGDMAPTMEN1 | |
| SCHEMBL11542176 | 0.86 | ALDH1A1 (0.46) | HPGDNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL11541340 | 0.84 | NPC1 (0.44) | TSHRMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL13669850 | 0.83 | MAPT (0.51) | TSHRL3MBTL1MAPTMEN1KMT2A | |
| SCHEMBL3109472 | 0.83 | CAPN1 (0.57) | CAPN1CA1CA2TSHRL3MBTL1 | |
| SCHEMBL11544300 | 0.82 | KDM4E (0.48) | LMNAHPGDMAPTMEN1KMT2A | |
| SCHEMBL11543797 | 0.82 | SLC6A2 (0.54) | CA1CA2TSHRMEN1KMT2A | |
| SCHEMBL28577924 | 0.81 | LMNA (0.56) | TSHRL3MBTL1LMNAGAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4175191-A | 4-Phenyl isoquinolines | SANDOZ, INC. (US) | 1979-11-20 | — | — | US | disclosed |
| US-3989704-A | 3-Substituted-4-aryl isoquinolines | SANDOZ, INC. (US) | 1976-11-02 | — | — | US | disclosed |