Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669256 | 0.88 | NPC1 (0.57) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL1638724 | 0.79 | ALDH1A1 (0.72) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL1613763 | 0.79 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL30567324 | 0.79 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL4877265 | 0.78 | ALDH1A1 (0.70) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL7333057 | 0.76 | CYP2A6 (0.46) | NPC1RAB9AALDH1A1LMNAHPGD | |
| SCHEMBL4814588 | 0.74 | NPC1 (0.56) | NPC1RAB9AALDH1A1HPGDMAOA | |
| SCHEMBL1011302 | 0.74 | NPC1 (0.52) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL2251502 | 0.74 | NPC1 (0.56) | NPC1RAB9AALDH1A1MEN1LMNA | |
| SCHEMBL8851213 | 0.74 | NPC1 (0.52) | NPC1RAB9AALDH1A1MEN1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5196454-A | METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES | BOEHRINGER INGELHEIM KG (DE) | 1993-03-23 | — | — | US | disclosed |
| EP-0402923-A2 | 2,5-Diaminotetralines, process for their preparation and their use as medicine | BOEHRINGER INGELHEIM KG (DE) | 1990-12-19 | — | — | EP | disclosed |