Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | AGXT | P21549 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL402251 | 0.90 | IDO1 (0.62) | IDO1LMNATSHRAGXTALDH1A1 | |
| Hydrochloric Acid SCHEMBL5529280 | 0.88 | IDO1 (0.64) | IDO1LMNATSHRAGXTALDH1A1 | |
| SCHEMBL7861196 | 0.81 | TSHR (0.59) | LMNATSHRCYP1A2CYP2D6CYP2C9 | |
| Dinitrophenylene SCHEMBL27738928 | 0.80 | LMNA (0.68) | LMNATSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2965418 | 0.79 | MAOB (0.63) | LMNAMEN1MAPTKMT2AALDH1A1 | |
| SCHEMBL30443578 | 0.79 | MAOB (0.63) | LMNAMEN1MAPTKMT2AALDH1A1 | |
| SCHEMBL535425 | 0.78 | IDO1 (0.66) | IDO1LMNATSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL439093 | 0.78 | IDO1 (1.00) | IDO1TSHRCYP2C19MAPTALDH1A1 | |
| Dinitrophenylene SCHEMBL27707690 | 0.78 | TSHR (0.85) | LMNATSHRMEN1MAPTKMT2A | |
| Dinitrophenylene SCHEMBL27564057 | 0.78 | TSHR (0.94) | LMNATSHRMEN1KMT2AALDH1A1 |
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-105524160-A | Pharmaceutical composition | AC IMMUNE SA | 2016-04-27 | — | — | CN | disclosed |