Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8089436 | 1.00 | AKR1C3 (0.39) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL7829311 | 1.00 | AKR1C3 (0.39) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL7828959 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL7824679 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL8706518 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL8096848 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL8096658 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL8089417 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL8089414 | 0.86 | AKR1C3 (0.44) | AKR1C3AKR1C1HDAC4ALDH1A1HPGD | |
| SCHEMBL7828978 | 0.79 | SLC6A4 (0.49) | MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6166037-A | Pyrrolidine and piperidine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2000-12-26 | — | — | US | disclosed |