Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NMT2 | O60551 | 6/20 | 0.44 |
| ▸ | NMT1 | P30419 | 6/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | MMP14 | P50281 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1582973 | 0.99 | NMT2 (0.43) | NMT2NMT1MMP2MMP13MMP14 | |
| SCHEMBL1583055 | 0.91 | IDO1 (0.42) | NMT2NMT1IDO1MEN1MAPT | |
| SCHEMBL12720559 | 0.90 | NMT2 (0.42) | NMT2NMT1MMP2MMP13MMP14 | |
| Hydrochloric Acid SCHEMBL1582749 | 0.89 | NMT2 (0.42) | NMT2NMT1MMP2MMP13MMP14 | |
| Hydrochloric Acid SCHEMBL1582698 | 0.87 | NMT2 (0.40) | NMT2NMT1MMP2MMP13MMP14 | |
| SCHEMBL12720932 | 0.86 | NMT2 (0.41) | NMT2NMT1 | |
| Hydrochloric Acid SCHEMBL1582654 | 0.86 | NMT2 (0.41) | NMT2NMT1 | |
| SCHEMBL1582816 | 0.78 | DRD2 (0.39) | NMT2NMT1IDO1HTR1AHTR6 | |
| Hydrochloric Acid SCHEMBL1582515 | 0.77 | CLK2 (0.39) | NMT2NMT1CDK1CCNB1HTR1A | |
| SCHEMBL1582786 | 0.76 | EGLN1 (0.40) | IDO1HTR1AHTR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1292592-B1 | HETEROCYCLIC AMINOALKYL PYRIDINE DERIVATIVES AS PSYCHOPHARMACEUTICALS | MERCK PATENT GMBH (DE) | 2011-04-20 | — | — | EP | disclosed |