Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | GABRE | P78334 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.38 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.38 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.38 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22325773 | 0.91 | TSHR (0.46) | TSHRCES2CES1GABRPGABRD | |
| Oxirane SCHEMBL3579759 | 0.86 | CES2 (0.50) | TSHRCES2CES1GABRPGABRD | |
| SCHEMBL9386 | 0.86 | — | — | |
| Bromide SCHEMBL28254303 | 0.84 | TSHR (0.50) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL2028850 | 0.84 | TSHR (0.50) | TSHRGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29234252 | 0.84 | TSHR (0.50) | TSHRGABRPGABRDGABRA1GABRB1 | |
| Fluoride SCHEMBL10970563 | 0.83 | CES2 (0.58) | TSHRCES2CES1GABRPGABRD | |
| SCHEMBL27685910 | 0.81 | CES2 (0.50) | TSHRCES2CES1GABRPGABRD | |
| SCHEMBL27714160 | 0.81 | CES2 (0.41) | TSHRCES2CES1LMNASMN1; SMN2 | |
| SCHEMBL25212375 | 0.81 | CES2 (0.61) | TSHRCES2CES1GABRPGABRD |
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-101233148-A | Macrocyclic peptides as HCV NS3 protease inhibitors | MERCK & CO INC (US) | 2008-07-30 | — | — | CN | disclosed |