Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14639693 | 0.86 | CHRM3 (0.42) | BRD4DRD2KMT2ACHRM3ACHE | |
| SCHEMBL9965478 | 0.82 | TSHR (0.46) | BRD4LMNAALDH1A1MEN1KMT2A | |
| SCHEMBL14141237 | 0.72 | MAPK3 (0.44) | BRD4ALDH1A1KMT2ATSHRMAPK3 | |
| SCHEMBL13801296 | 0.71 | MAPK3 (0.46) | BRD4MEN1KMT2ATSHRMAPK3 | |
| SCHEMBL9965473 | 0.71 | TSHR (0.54) | BRD4ALDH1A1MEN1KMT2AATM | |
| SCHEMBL29127243 | 0.70 | ALDH1A1 (0.49) | LMNAALDH1A1MEN1KMT2AATM | |
| SCHEMBL10224761 | 0.70 | TSHR (0.45) | BRD4ALDH1A1MEN1KMT2AATM | |
| SCHEMBL9965412 | 0.70 | MLNR (0.47) | LMNAALDH1A1KMT2ATSHRCHRM3 | |
| SCHEMBL9965418 | 0.70 | HDAC3 (0.48) | ALDH1A1TSHRCHRM3CYP3A4MAPT | |
| SCHEMBL27927468 | 0.70 | CARM1 (0.51) | BRD4CA12CA2CA9ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960347-B1 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS | STERIX LTD (GB) | 2012-06-20 | — | — | EP | disclosed |