Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10757464 | 0.85 | CES2 (0.54) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL14880709 | 0.79 | CES2 (0.69) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL10957602 | 0.77 | CA12 (0.38) | ALDH1A1KDM4EKMT2ACYP3A4LMNA | |
| SCHEMBL696226 | 0.76 | KMT2A (0.41) | ALDH1A1KDM4EKMT2AMEN1RAB9A | |
| SCHEMBL1573195 | 0.76 | NPC1 (0.46) | KMT2AMEN1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL697214 | 0.76 | CES2 (0.41) | CES2CES1KMT2ACYP3A4MEN1 | |
| SCHEMBL16395918 | 0.75 | TP53 (0.66) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL697784 | 0.74 | MTOR (0.47) | ALDH1A1KDM4EHTTKMT2AMEN1 | |
| SCHEMBL7101629 | 0.73 | CES2 (0.49) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL1655585 | 0.73 | MAPT (0.56) | TSHRHTTKMT2ACYP1A2MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | US | disclosed |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |