Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9730125 | 0.84 | PDPK1 (0.39) | PDPK1ATMKMT2ASHMT2AR | |
| Oxalic Acid SCHEMBL9729559 | 0.81 | PDPK1 (0.42) | PDPK1ATMKMT2ATP53AR | |
| SCHEMBL9729392 | 0.77 | HSD17B10 (0.46) | KMT2ATP53ARMAPTLMNA | |
| SCHEMBL10584394 | 0.76 | SHMT2 (0.47) | PDPK1ATMKMT2ASHMT2WDR5 | |
| Oxalic Acid SCHEMBL9730818 | 0.73 | MAPT (0.49) | MAPTLMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3379391 | 0.69 | SHMT2 (0.48) | PDPK1ATMKMT2ASHMT2WDR5 | |
| SCHEMBL10639923 | 0.67 | LMNA (0.48) | TP53MAPTLMNAALDH1A1HTT | |
| SCHEMBL10639930 | 0.67 | LMNA (0.48) | TP53MAPTLMNAALDH1A1HTT | |
| SCHEMBL14356330 | 0.67 | HPGD (0.48) | KMT2ASHMT2TP53WDR5LMNA | |
| SCHEMBL9279388 | 0.64 | KMT2A (0.40) | KMT2ASHMT2WDR5MAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106863-A | Antiulcer agents, gastrointestinal disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 1992-04-21 | — | — | US | disclosed |