Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MMP8 | P22894 | 2/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2327658 | 0.87 | KMT2A (0.54) | NPC1KMT2AMEN1RAB9AMMP8 | |
| SCHEMBL17693630 | 0.84 | KMT2A (0.49) | NPC1KMT2AMEN1RAB9ASMN1; SMN2 | |
| SCHEMBL27673425 | 0.79 | CYP26A1 (0.53) | NPC1KMT2AMEN1RAB9ASMN1; SMN2 | |
| SCHEMBL4560664 | 0.79 | PDCD1 (0.55) | NPC1KMT2AMEN1PDCD1CD274 | |
| SCHEMBL26199837 | 0.79 | CYP26A1 (0.53) | NPC1KMT2AMEN1RAB9ASMN1; SMN2 | |
| SCHEMBL30354719 | 0.79 | PDCD1 (0.55) | NPC1KMT2AMEN1PDCD1CD274 | |
| Hydrochloric Acid SCHEMBL29935507 | 0.78 | PDCD1 (0.54) | KMT2AMEN1PDCD1CD274MMP8 | |
| SCHEMBL11406495 | 0.77 | KMT2A (0.60) | NPC1KMT2AMEN1RAB9AMMP8 | |
| SCHEMBL16102444 | 0.77 | NAAA (0.56) | NPC1RAB9ASMN1; SMN2HPGDKDM4E | |
| SCHEMBL12009779 | 0.77 | KMT2A (0.53) | NPC1KMT2AMEN1RAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023130008-A2 | PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF | SEA PHARMACEUTICALS LLC (US) | 2023-07-06 | — | — | WO | disclosed |