Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL9131807 | 0.88 | GABRA1 (0.41) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL9132471 | 0.86 | TSHR (0.49) | TSHRPOLBCES2CES1AKR1B1 | |
| SCHEMBL7430127 | 0.85 | ALOX5 (0.50) | SLC6A2LMNACYP1A2PTGS1HIF1A | |
| SCHEMBL7444375 | 0.84 | TRPA1 (0.39) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL9129189 | 0.82 | HTR2A (0.46) | CYP1A2HTR2CHTR2BCES2 | |
| SCHEMBL6547552 | 0.81 | GABRA1 (0.41) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL9133864 | 0.79 | GABRA1 (0.42) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL9129968 | 0.76 | TSHR (0.46) | TSHRCNR2POLBSLC6A2HPGD | |
| SCHEMBL9130921 | 0.75 | TSHR (0.47) | TSHRPOLBCES2CES1AKR1B1 | |
| SCHEMBL9129992 | 0.75 | ALDH1A1 (0.38) | TSHRPOLBLMNAHPGDCES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |
| US-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |
| US-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |