Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.77 |
| ▸ | CES1 | P23141 | 2/20 | 0.77 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16108946 | 0.88 | CES2 (0.68) | CES2CES1NPC1KMT2ACYP1A2 | |
| SCHEMBL29610859 | 0.88 | CES2 (1.00) | CES2CES1NPC1KMT2APARP1 | |
| SCHEMBL2156482 | 0.88 | CES2 (1.00) | CES2CES1NPC1KMT2APARP1 | |
| SCHEMBL5216406 | 0.87 | KMT2A (0.72) | CES2CES1NPC1KMT2ACYP1A2 | |
| SCHEMBL9647505 | 0.86 | CES2 (0.89) | CES2CES1NPC1KMT2APARP1 | |
| SCHEMBL6605267 | 0.85 | CES2 (0.59) | CES2CES1NPC1KMT2ACYP1A2 | |
| SCHEMBL10921504 | 0.84 | CES2 (0.72) | CES2CES1KMT2ACYP1A2CYP1A1 | |
| SCHEMBL2479815 | 0.81 | CES2 (0.54) | CES2CES1NPC1KMT2ACYP1A2 | |
| SCHEMBL11815884 | 0.80 | CES2 (0.76) | CES2CES1KMT2ACYP1A2CYP1A1 | |
| SCHEMBL16108997 | 0.80 | CES2 (0.57) | CES2CES1NPC1KMT2ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0854870-B1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO INC (US) | 2009-06-10 | — | — | EP | disclosed |
| EP-0854870-B1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO INC (US) | 2009-06-10 | — | — | EP | disclosed |
| US-6083949-A | FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR | MERCK & CO., INC. (US) | 2000-07-04 | — | — | US | disclosed |
| EP-0854870-A4 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO INC (US) | 1999-01-07 | — | — | EP | disclosed |
| EP-0854870-A1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | Merck & Co., Inc. (US) | 1998-07-29 | — | — | EP | disclosed |
| US-5717100-A | Substituted imidazoles having anti-cancer and cytokine inhibitory activity | MERCK & CO., INC. (US) | 1998-02-10 | — | — | US | disclosed |
| WO-1997012876-A9 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | — | 1997-09-18 | — | — | WO | disclosed |
| WO-1997012876-A1 | SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY | MERCK & CO., INC. (US) | 1997-04-10 | — | — | WO | disclosed |