Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | RXRA | P19793 | 1/20 | 0.57 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.57 |
| ▸ | F2 | P00734 | 1/20 | 0.57 |
| ▸ | F10 | P00742 | 1/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.57 |
| ▸ | F7 | P08709 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL26258665 | 0.86 | NPC1 (0.65) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL5759617 | 0.86 | PRSS1 (0.70) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL4278415 | 0.86 | NPC1 (0.73) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL16795747 | 0.84 | NPC1 (0.64) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL6455515 | 0.83 | NPC1 (0.70) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL242563 | 0.82 | MRGPRX4 (0.77) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL27881765 | 0.82 | NPC1 (0.77) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL4270566 | 0.81 | SMPD1 (0.73) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL340620 | 0.81 | NPC1 (0.75) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 | |
| SCHEMBL31025721 | 0.81 | NPC1 (0.75) | NPC1RAB9AHPGDSMN1; SMN2SMPD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1379523-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002076979-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2002-10-03 | — | — | WO | disclosed |