Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.57 |
| ▸ | PPARG | P37231 | 7/20 | 0.57 |
| ▸ | PPARD | Q03181 | 7/20 | 0.57 |
| ▸ | PPARA | Q07869 | 7/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | TLR2 | O60603 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | FABP4 | P15090 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Undecanoate SCHEMBL28476457 | 1.00 | GPR84 (0.57) | GPR84PPARGPPARDPPARAHDAC11 | |
| Undecanoate SCHEMBL28151741 | 1.00 | GPR84 (0.57) | GPR84PPARGPPARDPPARAHDAC11 | |
| Fluorene SCHEMBL17443012 | 0.98 | AKR1B1 (0.55) | GPR84PPARGPPARDPPARAHDAC11 | |
| Fluorene SCHEMBL27386948 | 0.86 | NPC1 (0.56) | TSHRALDH1A1ALOX15CES2CES1 | |
| Fluorene SCHEMBL27692624 | 0.86 | NPC1 (0.48) | GPR84PPARGPPARDPPARAHDAC11 | |
| Fluorene SCHEMBL28775248 | 0.86 | SRD5A2 (0.55) | HDAC11TSHRALDH1A1SLC22A6ALOX15 | |
| Fluorene SCHEMBL27803639 | 0.86 | ALDH1A1 (0.50) | TSHRPTPN1ALDH1A1HSD17B10MAPT | |
| Fluorene SCHEMBL28135016 | 0.86 | ALDH1A1 (0.50) | TSHRPTPN1ALDH1A1HSD17B10MAPT | |
| Fluorene SCHEMBL25291666 | 0.84 | MAOA (0.50) | TSHRALDH1A1HSD17B10MAPTCES1 | |
| Fluorene SCHEMBL28311286 | 0.82 | SRD5A2 (0.55) | TSHRALDH1A1ALOX15HSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104039789-A | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | MERCK PATENT GMBH | 2014-09-10 | — | — | CN | disclosed |