Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15340995 | 1.00 | TNF (0.39) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6878443 | 0.98 | TNF (0.41) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6878338 | 0.98 | TNF (0.41) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6877221 | 0.98 | TNF (0.41) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL11921637 | 0.94 | TNF (0.38) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL11921634 | 0.92 | TNF (0.40) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6876037 | 0.92 | TNF (0.43) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6878530 | 0.92 | TNF (0.43) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6878515 | 0.92 | TNF (0.43) | TNFLMNATSHRSMN1; SMN2CYP1A2 | |
| SCHEMBL6875923 | 0.90 | TNF (0.42) | TNFLMNATSHRSMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9085788-B2 | Process for preparing an enantiomerically enriched, deuterated secondary alcohol from a corresponding ketone without reducing deuterium incorporation | CONCERT PHARMACEUTICALS, INC. (US) | 2015-07-21 | — | — | US | disclosed |
| US-20140017739-A1 | PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION | CONCERT PHARMACEUTICALS, INC. (US) | 2014-01-16 | — | — | US | disclosed |