Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.69 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.69 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | ADK | P55263 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16169793 | 0.85 | IMPDH2 (0.69) | ESR1ESR2IMPDH2PTGS2AHR | |
| SCHEMBL17383846 | 0.85 | IMPDH2 (0.73) | ESR1ESR2IMPDH2PTGS2AHR | |
| SCHEMBL6986423 | 0.82 | IMPDH2 (0.65) | ESR1ESR2IMPDH2PTGS2AHR | |
| SCHEMBL27701196 | 0.82 | IMPDH2 (0.65) | ESR1ESR2IMPDH2PTGS2AHR | |
| SCHEMBL8722197 | 0.82 | IMPDH2 (0.65) | ESR1ESR2IMPDH2PTGS2AHR | |
| SCHEMBL7037980 | 0.81 | ESR1 (1.00) | ESR1ESR2PTGS2 | |
| SCHEMBL28105642 | 0.81 | ESR1 (0.73) | ESR1ESR2PTGS2AHRALDH1A1 | |
| SCHEMBL14045573 | 0.80 | ESR1 (0.56) | ESR1ESR2IMPDH2PTGS2ALDH1A1 | |
| SCHEMBL5195800 | 0.79 | IMPDH2 (0.49) | ESR1ESR2IMPDH2ALDH1A1KDM4E | |
| SCHEMBL11459527 | 0.79 | CHEK1 (0.54) | ESR1ESR2IMPDH2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1945206-A1 | INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS | Athersys, Inc. (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007047775-A1 | INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS | ATHERSYS, INC. (US) | 2007-04-26 | — | — | WO | disclosed |