Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL157541 | 0.92 | — | — | |
| Iodide SCHEMBL28939695 | 0.89 | APP (0.61) | APPNPC1RAB9AMTORMAPT | |
| Isopropyl Alcohol SCHEMBL7917835 | 0.88 | HTR2A (0.48) | APPNPC1RAB9AMTORMAPT | |
| Sulfuric Acid SCHEMBL28417211 | 0.83 | NPC1 (0.54) | APPNPC1RAB9AMTORMAPT | |
| Diphenylacetylene SCHEMBL68254 | 0.73 | APP (1.00) | APPNPC1RAB9AMTORMAPT | |
| Diphenylacetylene SCHEMBL960609 | 0.73 | APP (1.00) | APPNPC1RAB9AMTORMAPT | |
| Diphenylacetylene SCHEMBL29188592 | 0.73 | APP (1.00) | APPNPC1RAB9AMTORMAPT | |
| Diphenylacetylene SCHEMBL23754283 | 0.71 | APP (0.80) | APPNPC1RAB9AMTORMAPT | |
| Diphenylacetylene SCHEMBL27449385 | 0.71 | APP (0.80) | APPNPC1RAB9AMTORMAPT | |
| Diphenylacetylene SCHEMBL27853824 | 0.71 | APP (0.80) | APPNPC1RAB9AMAPTCYP1A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6225499-B1 | REACTING N-ARYLMETHYLIDENE AMINOARYLBROMIDE WITH TERMINAL ACETYLENE IN PRESENCE OF BASE AND CATALYST SYSTEM COMPRISING PALLADIUM CATALYST AND CUPROUS SALT TO PRODUCE N-ARYLMETHYLIDENE AMINOARYLACETYLENE | CATALYTICA PHARMACEUTICALS, INC. | 2001-05-01 | — | — | US | claimed |
| EP-1019359-A2 | PROCESS FOR PREPARING AMINOARYLACETYLENES | Catalytica Pharmaceuticals, Inc. (US) | 2000-07-19 | — | — | EP | claimed |
| WO-1999003803-A2 | PROCESS FOR PREPARING AMINOARYLACETYLENES | CATALYTICA PHARMACEUTICALS, INC. (US) | 1999-01-28 | — | — | WO | claimed |
| US-6225499-B1 | REACTING N-ARYLMETHYLIDENE AMINOARYLBROMIDE WITH TERMINAL ACETYLENE IN PRESENCE OF BASE AND CATALYST SYSTEM COMPRISING PALLADIUM CATALYST AND CUPROUS SALT TO PRODUCE N-ARYLMETHYLIDENE AMINOARYLACETYLENE | CATALYTICA PHARMACEUTICALS, INC. | 2001-05-01 | — | — | US | disclosed |
| US-6100429-A | N-benzylidene aminophenylacetylene carbinols | CATALYTICA PHARMACEUTICALS, INC. (US) | 2000-08-08 | — | — | US | disclosed |
| EP-1019359-A2 | PROCESS FOR PREPARING AMINOARYLACETYLENES | Catalytica Pharmaceuticals, Inc. (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1999003803-A2 | PROCESS FOR PREPARING AMINOARYLACETYLENES | CATALYTICA PHARMACEUTICALS, INC. (US) | 1999-01-28 | — | — | WO | disclosed |