Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15282567 | 0.87 | ALDH1A1 (0.45) | ALDH1A1KDM4EUSP2HPGDLMNA | |
| SCHEMBL13795217 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDLMNATSHRALOX12 | |
| SCHEMBL12512641 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDLMNATSHRALOX12 | |
| SCHEMBL15282516 | 0.80 | TSHR (0.40) | ALDH1A1KDM4EUSP2HPGDLMNA | |
| SCHEMBL1081063 | 0.80 | KDM4E (0.49) | ALDH1A1KDM4EUSP2HPGDLMNA | |
| SCHEMBL10569335 | 0.79 | ALDH1A1 (0.40) | ALDH1A1KDM4EUSP2HPGDLMNA | |
| SCHEMBL12512277 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDLMNATSHRALOX12 | |
| SCHEMBL12512396 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDLMNATSHRALOX12 | |
| SCHEMBL9474547 | 0.77 | TSHR (0.49) | ALDH1A1HPGDLMNATSHRALOX12 | |
| SCHEMBL7503719 | 0.77 | LMNA (0.50) | ALDH1A1LMNATSHRKMT2AMEN1 |
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-0393424-B1 | Process for the preparation of 2,7-Diazabicyclo(3.3.O)octanes | BAYER AG (DE) | 1995-09-27 | — | — | EP | disclosed |
| US-5241076-A | 1,4-diazatricyclo [6.3.0.0]undecanes | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-31 | — | — | US | disclosed |
| US-5177210-A | Preparation of 2,7-diazabicyclo(3.3.0)octanes | BAYER AKTIENGESELLSCHAFT (DE) | 1993-01-05 | — | — | US | disclosed |
| US-5071999-A | Preparation of 2,7-diazabicyclo[3.3.0]octanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-10 | — | — | US | disclosed |
| EP-0393424-A2 | Process for the preparation of 2,7-Diazabicyclo(3.3.O)octanes | BAYER AG (DE) | 1990-10-24 | — | — | EP | disclosed |