Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MDM4 | O15151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5247771 | 0.87 | ABCB11 (0.50) | ABCB11TRPA1HDAC4HDAC2HDAC8 | |
| SCHEMBL28177840 | 0.83 | HDAC4 (0.53) | TRPA1HDAC4HDAC2HDAC8TAAR1 | |
| SCHEMBL28882558 | 0.82 | TRPA1 (0.41) | TRPA1HDAC4HDAC2HDAC8TAAR1 | |
| SCHEMBL25094316 | 0.81 | HDAC4 (0.47) | ABCB11TRPA1HDAC4HDAC2HDAC8 | |
| SCHEMBL18211070 | 0.79 | ABCB11 (0.44) | ABCB11TRPA1HDAC4HDAC2HDAC8 | |
| SCHEMBL20738464 | 0.79 | ADRB1 (0.53) | ABCB11TRPA1HDAC4HDAC2HDAC8 | |
| SCHEMBL17297892 | 0.79 | ABCB11 (0.44) | ABCB11TRPA1HDAC4HDAC2HDAC8 | |
| SCHEMBL20738470 | 0.79 | ABCB11 (0.44) | ABCB11TRPA1HDAC4HDAC2HDAC8 | |
| SCHEMBL15866411 | 0.79 | ALDH1A1 (0.46) | ABCB11TRPA1ALDH1A1HPGDADRB1 | |
| SCHEMBL9169343 | 0.79 | ADRB1 (0.53) | ABCB11TRPA1HDAC4HDAC2HDAC8 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| WO-1996029329-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-26 | — | — | WO | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5683999-A | Cyclic urea HIV protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-04 | — | — | US | disclosed |
| WO-1996029329-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |