Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SOAT2 | O75908 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9130921 | 0.90 | TSHR (0.47) | TRPA1TSHRPOLBMEN1KMT2A | |
| SCHEMBL9134609 | 0.87 | LTA4H (0.41) | HPGD | |
| SCHEMBL9129927 | 0.87 | ALOX5 (0.50) | MEN1KMT2ALMNACYP1A2PTGS1 | |
| SCHEMBL7434130 | 0.84 | GABRA1 (0.41) | TRPA1TSHRGABRA1GABRB2POLB | |
| SCHEMBL9129572 | 0.84 | KDM4E (0.40) | CNR2KDM4E | |
| SCHEMBL9130508 | 0.84 | ALDH1A1 (0.40) | TRPA1TSHRMEN1KMT2A | |
| SCHEMBL9131668 | 0.83 | CYP1A2 (0.45) | MEN1KMT2ACYP1A2HTR2CHTR2B | |
| SCHEMBL9134829 | 0.81 | L3MBTL1 (0.41) | TRPA1TSHRCYP1A2CYP3A4BLM | |
| SCHEMBL7435278 | 0.80 | ALDH1A1 (0.36) | TRPA1TSHRPOLBMEN1KMT2A | |
| SCHEMBL9540262 | 0.80 | KDM4E (0.44) | TSHRPOLBCNR2MEN1KMT2A |
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 3 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 |