Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.56 |
| ▸ | MCOLN3 | Q8TDD5 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8543576 | 0.99 | MCOLN3 (0.58) | GPBAR1MCOLN3TSHRLMNAALDH1A1 | |
| SCHEMBL8540258 | 0.98 | GPBAR1 (0.60) | GPBAR1MCOLN3TSHRLMNAALDH1A1 | |
| SCHEMBL8541489 | 0.90 | KDM4E (0.60) | TSHRLMNAALDH1A1KDM4EGAA | |
| SCHEMBL8539014 | 0.90 | L3MBTL1 (0.51) | GPBAR1MCOLN3TSHRLMNAALDH1A1 | |
| SCHEMBL8544818 | 0.85 | AKR1C3 (0.44) | GPBAR1MCOLN3TSHRLMNAALDH1A1 | |
| SCHEMBL8540314 | 0.80 | POLB (0.47) | TSHRALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9054130 | 0.80 | KMT2A (0.63) | MCOLN3TSHRLMNAALDH1A1MEN1 | |
| SCHEMBL9058745 | 0.79 | PDE4A (0.69) | TSHRLMNAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL9054500 | 0.79 | DRD2 (0.53) | — | |
| SCHEMBL8544972 | 0.78 | DRD2 (0.56) | — |
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-0705259-B1 | PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-02-25 | — | — | EP | disclosed |