Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9342889 | 0.91 | CNR2 (0.58) | PKMCNR2TSHRKDM4ECNR1 | |
| SCHEMBL3017718 | 0.90 | TSHR (0.53) | KDM4CPKMCNR2ALDH1A1TSHR | |
| SCHEMBL7299091 | 0.88 | TSHR (0.56) | PKMCNR2ALDH1A1TSHRPMP22 | |
| SCHEMBL7297157 | 0.81 | ALDH1A1 (0.47) | KDM4CPKMCNR2ALDH1A1TSHR | |
| SCHEMBL7306085 | 0.81 | KDM4C (0.53) | KDM4CALDH1A1TSHRPMP22KDM4E | |
| SCHEMBL9980879 | 0.81 | PTGER4 (0.58) | PKMCNR2ALDH1A1TSHRPMP22 | |
| SCHEMBL2818345 | 0.81 | CNR1 (0.60) | KDM4CPKMCNR2ALDH1A1TSHR | |
| SCHEMBL7299469 | 0.80 | KDM4E (0.54) | KDM4CPKMALDH1A1TSHRKDM4E | |
| SCHEMBL6948768 | 0.80 | CNR1 (0.61) | PKMCNR2TSHRPMP22KDM4E | |
| SCHEMBL30497875 | 0.80 | CNR1 (0.61) | PKMCNR2TSHRPMP22KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0560604-B1 | Cinnoline-3-carboxylic acid derivatives as 5-HT3 antagonists | MITSUBISHI CHEM CORP (JP) | 1997-01-29 | — | — | EP | disclosed |
| US-5556851-A | TREATMENT OF NAUSEA OR EMESIS FROM ANTICANCER DRUGS OR X-RAY TREATMENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-09-17 | — | — | US | disclosed |
| US-5391549-A | Antagonistifc activity against serotonin 5HT3 receptors | MITSUBISHI KASEI CORPORATION (JP) | 1995-02-21 | — | — | US | disclosed |
| EP-0560604-A1 | Cinnoline-3-carboxylic acid derivatives as 5-HT3 antagonists | Mitsubishi Chemical Corporation (JP) | 1993-09-15 | — | — | EP | disclosed |