Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7306500 | 0.86 | ESR1 (0.56) | KMT2APKMALDH1A1ESR1MAPT | |
| SCHEMBL7297551 | 0.80 | RORC (0.40) | KMT2APKMALDH1A1KDM4CCHRM1 | |
| SCHEMBL7306471 | 0.79 | KDM4C (0.50) | KMT2APKMALDH1A1MAPTKDM4C | |
| Hydrochloric Acid SCHEMBL7331204 | 0.77 | HTR3A (0.59) | ALDH1A1TSHRKDM4EMAPK1 | |
| Hydrochloric Acid SCHEMBL7331196 | 0.77 | HTR3A (0.59) | ALDH1A1TSHRKDM4EMAPK1 | |
| Hydrochloric Acid SCHEMBL7304414 | 0.77 | HTR3A (0.55) | — | |
| SCHEMBL15792318 | 0.76 | PLK1 (0.41) | KMT2AALDH1A1ESR1KDM4CPLK1 | |
| SCHEMBL21120832 | 0.75 | ADORA2A (0.47) | KMT2AALDH1A1ESR1KDM4CLMNA | |
| SCHEMBL7297157 | 0.74 | ALDH1A1 (0.47) | KMT2APKMALDH1A1ESR1MAPT | |
| SCHEMBL7306085 | 0.74 | KDM4C (0.53) | KMT2AALDH1A1KDM4CLMNATSHR |
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 |