Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 3/20 | 0.53 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.30 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL14498838 | 0.75 | NNMT (0.59) | NNMTUHRF1DRD1GRM5PARP10 | |
| SCHEMBL7213850 | 0.75 | NNMT (0.55) | NNMTUHRF1DRD1GRM5PARP10 | |
| SCHEMBL25795779 | 0.75 | NNMT (0.55) | NNMTUHRF1DRD1GRM5PARP10 | |
| SCHEMBL14510804 | 0.73 | HTR2A (0.35) | NNMTKDM4EGRM5PARP1LRRK2 | |
| SCHEMBL12605346 | 0.71 | NNMT (0.55) | NNMTUHRF1DRD1GRM5PARP10 | |
| SCHEMBL25789870 | 0.70 | NNMT (0.55) | NNMT | |
| SCHEMBL23782902 | 0.69 | SMN1; SMN2 (0.39) | KDM4EGAAMAPK1 | |
| SCHEMBL22890487 | 0.69 | KDM4E (0.39) | KDM4EGAACYP11B1CYP11B2TSHR | |
| SCHEMBL29740409 | 0.69 | SMN1; SMN2 (0.39) | KDM4EGAAMAPK1 | |
| SCHEMBL18370172 | 0.69 | KDM4E (0.37) | NNMTUHRF1KDM4EGAAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023129513-A2 | BICYCLIC HETEROAROMATIC INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, AND COMPOSITIONS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-07-06 | — | — | WO | disclosed |
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |