Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCLRE1B | Q9H816 | 3/20 | 0.70 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.70 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.58 |
| ▸ | HNF4A | P41235 | 2/20 | 0.58 |
| ▸ | ACLY | P53396 | 4/20 | 0.53 |
| ▸ | DHFR | P00374 | 1/20 | 0.53 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.51 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.51 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10397478 | 0.84 | DCLRE1B (0.72) | DCLRE1BDCLRE1AACMSDHNF4AACLY | |
| SCHEMBL14084578 | 0.82 | NR4A2 (0.51) | DCLRE1BDCLRE1AACMSDHNF4AACLY | |
| Hydrochloric Acid SCHEMBL5704000 | 0.80 | DCLRE1B (0.62) | DCLRE1BDCLRE1AACMSDHNF4AACLY | |
| SCHEMBL12991938 | 0.80 | TSHR (0.51) | DCLRE1BDCLRE1A | |
| SCHEMBL7019419 | 0.79 | DCLRE1B (0.66) | DCLRE1BDCLRE1AACMSDHNF4AACLY | |
| SCHEMBL13681701 | 0.79 | DCLRE1B (0.66) | DCLRE1BDCLRE1AACMSDHNF4AACLY | |
| SCHEMBL28180523 | 0.77 | KDM4E (0.48) | DCLRE1BDCLRE1APTPN1 | |
| SCHEMBL26679439 | 0.77 | DCLRE1B (0.62) | DCLRE1BDCLRE1AACMSDHNF4AACLY | |
| SCHEMBL445508 | 0.77 | FOLH1 (0.59) | AKR1C3 | |
| SCHEMBL30616786 | 0.77 | ACMSD (0.70) | DCLRE1BDCLRE1AACMSDHNF4AACLY |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2665744-A2 | MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION | UNIVERSITY OF ROCHESTER (US) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012100176-A2 | MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION | UNIVERSITY OF ROCHESTER (US) | 2012-07-26 | — | — | WO | disclosed |