Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 6/20 | 0.48 |
| ▸ | ERCC5 | P28715 | 8/20 | 0.42 |
| ▸ | FEN1 | P39748 | 8/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL7079532 | 0.83 | HDAC1 (0.51) | PTPN1ERCC5FEN1HDAC1HDAC2 | |
| SCHEMBL11974969 | 0.76 | SLC22A12 (0.54) | HDAC8KDM4EALDH1A1POLBHPGD | |
| SCHEMBL6946155 | 0.72 | PTPN1 (0.76) | PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL11977102 | 0.71 | SLC22A12 (0.49) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL11976833 | 0.70 | SLC22A12 (0.64) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL31257888 | 0.69 | CDK4 (0.55) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL6087045 | 0.69 | CDK4 (0.55) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL1609118 | 0.69 | HDAC6 (0.57) | HDAC1HDAC2HDAC10HDAC8HDAC6 | |
| SCHEMBL11976836 | 0.69 | SLC22A12 (0.66) | HDAC8KDM4EALDH1A1POLB | |
| SCHEMBL16587407 | 0.69 | SLC22A12 (0.57) | HDAC8 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |