Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GGT1 | P19440 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3358395 | 0.90 | AKR1C3 (0.47) | AKR1C3AKR1C2HPGDAKR1C4CYP1A2 | |
| SCHEMBL3358400 | 0.88 | AKR1C3 (0.49) | AKR1C3AKR1C2KDM4EBLMAKR1C4 | |
| SCHEMBL3079265 | 0.87 | ACHE (0.63) | AKR1C3AKR1C2ALDH1A1PTGS1ACHE | |
| SCHEMBL868605 | 0.87 | ACHE (0.63) | AKR1C3AKR1C2ALDH1A1PTGS1ACHE | |
| SCHEMBL868603 | 0.87 | ACHE (0.63) | AKR1C3AKR1C2ALDH1A1PTGS1ACHE | |
| SCHEMBL16050965 | 0.86 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL16163500 | 0.86 | PTGS2 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL1399489 | 0.83 | ALOX5 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL31112657 | 0.83 | ALOX5 (0.55) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL4644317 | 0.82 | XPO1 (0.41) | AKR1C3AKR1C2PTGS2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011041593-A1 | NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE | UNIVERSITY OF KANSAS (US) | 2011-04-07 | — | — | WO | disclosed |