Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | OGA | O60502 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7768027 | 0.80 | IGF1R (0.55) | ALDH1A1 | |
| SCHEMBL12668155 | 0.76 | GAA (0.59) | AKR1C3GPR119DRD2KDM4EGFER | |
| SCHEMBL23355606 | 0.73 | AKR1C3 (0.54) | AKR1C3GPR119DRD2KCNH2CA1 | |
| SCHEMBL16546676 | 0.73 | AKR1C3 (0.50) | AKR1C3GPR119DRD2ARMEN1 | |
| SCHEMBL11141671 | 0.72 | — | — | |
| SCHEMBL10935712 | 0.72 | TSHR (0.39) | ALDH1A1 | |
| SCHEMBL28170767 | 0.71 | AKR1C3 (0.58) | AKR1C3GPR119ALDH1A1KDM4EGFER | |
| SCHEMBL4539301 | 0.70 | DRD2 (0.73) | DRD2L3MBTL1 | |
| SCHEMBL12826096 | 0.70 | LMNA (0.59) | AKR1C3GPR119ALDH1A1MEN1KMT2A | |
| SCHEMBL22495385 | 0.70 | MAPT (0.58) | AKR1C3GPR119ALDH1A1KDM4EGFER |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104413-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM | ELI LILLY AND COMPANY LIMITED (GB) | 2001-06-06 | — | — | EP | disclosed |
| EP-1100780-A1 | NOVEL 2,3,3A,4,9,9A HEXAHYDRO-8-HYDROXY-1H-BENZ F]INDOLES, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000008006-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM | ELI LILLY AND COMPANY LIMITED (GB) | 2000-02-17 | — | — | WO | disclosed |
| WO-2000007986-A1 | NOVEL 2,3,3A,4,9,9A HEXAHYDRO-8-HYDROXY-1H-BENZ[F]INDOLES, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-02-17 | — | — | WO | disclosed |