Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407096 | 0.85 | F2 (0.48) | — | |
| SCHEMBL7405007 | 0.82 | MTNR1A (0.40) | CYP1A2TSHRCYP2C19NPC1RAB9A | |
| SCHEMBL7822527 | 0.77 | MEN1 (0.46) | KMT2AMEN1LMNACYP1A2PKM | |
| Nb-Acetyltryptamine SCHEMBL468850 | 0.69 | MEN1 (1.00) | KMT2AMEN1LMNACYP1A2PKM | |
| SCHEMBL1852082 | 0.68 | MEN1 (0.73) | KMT2AMEN1LMNACYP1A2PKM | |
| Nb-Acetyltryptamine SCHEMBL29669230 | 0.68 | MEN1 (0.97) | KMT2AMEN1LMNACYP1A2PKM | |
| SCHEMBL627038 | 0.64 | MEN1 (0.74) | KMT2AMEN1LMNACYP1A2PKM | |
| SCHEMBL12845394 | 0.64 | MEN1 (0.55) | KMT2AMEN1LMNACYP1A2PKM | |
| SCHEMBL4704852 | 0.64 | MEN1 (0.82) | KMT2AMEN1LMNACYP1A2PKM | |
| SCHEMBL6394942 | 0.63 | MEN1 (0.76) | KMT2AMEN1LMNACYP1A2PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0900207-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040024-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1997-10-30 | — | — | WO | disclosed |