Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593938 | 0.90 | ALDH1A1 (0.49) | ALDH1A1ALOX15GAACNR1HDAC1 | |
| SCHEMBL29954798 | 0.86 | ALDH1A1 (0.58) | ALDH1A1ALOX15GAACNR1HDAC1 | |
| SCHEMBL10783421 | 0.85 | CRHBP (0.56) | ALDH1A1ALOX15GAACNR1HDAC1 | |
| Hydrochloric Acid SCHEMBL10411183 | 0.85 | ALDH1A1 (0.57) | ALDH1A1ALOX15GAACNR1HDAC1 | |
| SCHEMBL6179341 | 0.85 | ALDH1A1 (0.54) | ALDH1A1ALOX15GAACNR1HDAC1 | |
| SCHEMBL18768957 | 0.83 | ALDH1A1 (0.72) | ALDH1A1GAAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL3825118 | 0.82 | HDAC1 (0.51) | ALDH1A1ALOX15GAACNR1HDAC1 | |
| SCHEMBL27778044 | 0.82 | ALDH1A1 (0.51) | ALDH1A1ALOX15GAACNR1KMT2A | |
| SCHEMBL11298255 | 0.81 | ALDH1A1 (0.53) | ALDH1A1ALOX15GAACNR1HDAC1 | |
| SCHEMBL11287913 | 0.81 | ALDH1A1 (0.53) | ALDH1A1ALOX15GAACNR1HDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4742084-A | Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives | MCNEILAB, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| US-4661635-A | ANTIARRHYTHMIA AGENTS | MCNEILAB, INC. (US) | 1987-04-28 | — | — | US | disclosed |
| US-4659737-A | Substituted aminomethyl benzopyrans having anti-hypertensive activities | BAYER AKTIENGESELLSCHAFT (DE) | 1987-04-21 | — | — | US | disclosed |
| US-4647579-A | Circulation active novel substituted 4-hydroxy-benzopyrans | BAYER AKTIENGESELLSCHAFT (DE) | 1987-03-03 | — | — | US | disclosed |
| EP-0146271-A2 | Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-06-26 | — | — | EP | disclosed |