Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | KYNU | Q16719 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL27718490 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDABCB1L3MBTL1 | |
| SCHEMBL7345614 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDABCB1L3MBTL1 | |
| Trimethylammonium SCHEMBL28191476 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MAPTHPGDABCB1L3MBTL1 | |
| SCHEMBL7213716 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1KMT2AMAPK1 | |
| SCHEMBL26290931 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MAPTHPGDL3MBTL1KMT2A | |
| SCHEMBL4712055 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MAPTHPGDABCB1L3MBTL1 | |
| SCHEMBL1549936 | 0.77 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2 | |
| SCHEMBL14202766 | 0.77 | NPC1 (0.51) | ALDH1A1MAPTHPGDL3MBTL1KMT2A | |
| SCHEMBL7213707 | 0.77 | ALDH1A1 (0.55) | ALDH1A1MAPTL3MBTL1KMT2AMAPK1 | |
| SCHEMBL7424592 | 0.77 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2 |
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-5436240-A | Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines | THE UPJOHN COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0480939-B1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1995-01-25 | — | — | EP | disclosed |
| US-5273975-A | Heterocyclic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0480939-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1992-04-22 | — | — | EP | disclosed |
| WO-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |