Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CD44 | P16070 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10229515 | 0.86 | CD44 (0.48) | CYP2A6CD44CYP1A2PARP1ALDH1A1 | |
| SCHEMBL206466 | 0.84 | CYP2A6 (0.52) | CYP2A6CD44CYP1A2PARP1ALDH1A1 | |
| SCHEMBL9523617 | 0.83 | CYP1A2 (0.52) | CYP2A6CD44CYP1A2PARP1ALDH1A1 | |
| SCHEMBL20404268 | 0.78 | — | — | |
| SCHEMBL30060771 | 0.78 | — | — | |
| SCHEMBL1280654 | 0.78 | CD44 (0.48) | CYP2A6CD44CYP1A2ALDH1A1HPGD | |
| SCHEMBL8061942 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP1A2MEN1KMT2A | |
| SCHEMBL266203 | 0.76 | BCL2L1 (0.53) | CYP2A6CYP1A2PARP1ALDH1A1MEN1 | |
| SCHEMBL14220348 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP1A2ALDH1A1MEN1MAPT | |
| SCHEMBL1662187 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP1A2KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0402923-A2 | 2,5-Diaminotetralines, process for their preparation and their use as medicine | BOEHRINGER INGELHEIM KG (DE) | 1990-12-19 | — | — | EP | claimed |
| JP-3031244-A | — | — | None | — | — | JP | disclosed |
| US-5196454-A | METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES | BOEHRINGER INGELHEIM KG (DE) | 1993-03-23 | — | — | US | disclosed |
| JP-H0331244-A | NOVEL, 2,5-DIAMINOTETRALINE, ITS PRODUCTION AND ITS USE AS PHARMACEUTICAL COMPOSITION | BOEHRINGER INGELHEIM KG | 1991-02-12 | — | — | JP | 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 |