Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.31 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.31 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.30 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14956297 | 0.84 | KMT2A (0.47) | KMT2AKDM4EALDH1A1RECQLLMNA | |
| SCHEMBL7338378 | 0.80 | GRIA1 (0.36) | KMT2AKDM4EIDO1PNMTALDH1A1 | |
| SCHEMBL3947735 | 0.79 | CHRM5 (0.36) | KMT2AIDO1PNMTMEN1MAPT | |
| SCHEMBL7344131 | 0.78 | FABP4 (0.53) | KMT2APTGS2KCNJ5KCNJ3FABP4 | |
| SCHEMBL2009535 | 0.78 | KDM4E (0.33) | KMT2AKDM4EL3MBTL1 | |
| SCHEMBL8265123 | 0.77 | L3MBTL1 (0.45) | KMT2AKDM4EIDO1PNMTALDH1A1 | |
| SCHEMBL10532535 | 0.76 | ALDH1A1 (0.43) | KMT2AKDM4EALDH1A1RECQLLMNA | |
| SCHEMBL7341969 | 0.76 | KDM4E (0.51) | KMT2AKDM4ELMNACYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL10533956 | 0.75 | ALDH1A1 (0.42) | KMT2AKDM4EIDO1ALDH1A1RECQL | |
| SCHEMBL8262736 | 0.73 | L3MBTL1 (0.42) | KMT2AKDM4EALDH1A1MAPTHSD17B10 |
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-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5968938-A | Piperazine oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1999-10-19 | — | — | US | disclosed |