Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | CTSD | P07339 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2742524 | 0.86 | ALDH1A1 (0.65) | ALDH1A1MAPK1HPGDL3MBTL1LMNA | |
| SCHEMBL6380565 | 0.85 | KMT2A (0.62) | ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2 | |
| SCHEMBL4026108 | 0.81 | MTNR1A (0.63) | ALDH1A1KMT2AMEN1RAB9ALMNA | |
| SCHEMBL6377511 | 0.81 | MTNR1A (0.68) | KMT2AMEN1RAB9ANPC1POLB | |
| SCHEMBL179020 | 0.80 | NPC1 (0.63) | ALDH1A1MAPK1HPGDKMT2AMEN1 | |
| SCHEMBL4024043 | 0.79 | LMNA (0.69) | ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2 | |
| SCHEMBL4029338 | 0.76 | KMT2A (0.70) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL8318093 | 0.76 | POLB (0.55) | ALDH1A1MAPK1HPGDKMT2AL3MBTL1 | |
| SCHEMBL27975281 | 0.76 | ALDH1A1 (0.70) | ALDH1A1MAPK1HPGDKMT2AMEN1 | |
| SCHEMBL5146735 | 0.75 | ALDH1A1 (0.55) | ALDH1A1MAPK1HPGDKMT2AL3MBTL1 |
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-1274687-B1 | 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2005-01-05 | — | — | EP | disclosed |
| EP-1274687-A1 | 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001068609-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2001-09-20 | — | — | WO | disclosed |