Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11267480 | 0.80 | TSHR (0.54) | ALDH1A1NPC1RAB9AGABRA1GABRG2 | |
| SCHEMBL11270152 | 0.77 | TSHR (0.42) | ALDH1A1NPC1RAB9AGABRA1GABRG2 | |
| SCHEMBL11340909 | 0.75 | SOAT1 (0.47) | ALDH1A1NPC1RAB9AMAPTMEN1 | |
| SCHEMBL11269321 | 0.74 | MAPT (0.61) | ALDH1A1NPC1RAB9AGABRA1GABRG2 | |
| SCHEMBL21938127 | 0.68 | GABRA1 (0.54) | ALDH1A1NPC1RAB9AGABRA1GABRG2 | |
| SCHEMBL28088741 | 0.68 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AMAPTMEN1 | |
| Toluene SCHEMBL28279559 | 0.67 | MAPT (0.41) | ALDH1A1NPC1MAPTTSHRATM | |
| SCHEMBL9544981 | 0.67 | GABRA1 (0.52) | ALDH1A1NPC1RAB9AGABRA1GABRG2 | |
| SCHEMBL31678675 | 0.67 | GABRA1 (0.52) | ALDH1A1NPC1RAB9AGABRA1GABRG2 | |
| SCHEMBL11326223 | 0.67 | KMT2A (0.49) | ALDH1A1NPC1RAB9AMAPTMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | claimed |
| US-4310551-A | Pharmacologically active substituted 1,2,4-triazines | DIAMOND SHAMROCK CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4251527-A | ANTIINFLAMMATORY AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |