Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12636632 | 0.83 | ALDH1A1 (0.48) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL7139994 | 0.72 | HSD17B10 (0.48) | ALDH1A1KDM4EKMT2AHPGDCYP1A2 | |
| SCHEMBL12636575 | 0.71 | FPR2 (0.46) | ALDH1A1KDM4EMEN1KMT2AHTT | |
| SCHEMBL4901672 | 0.70 | ALDH1A1 (0.48) | ALDH1A1KDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL29451899 | 0.68 | MEN1 (0.47) | ALDH1A1MEN1KMT2AHPGDHTT | |
| SCHEMBL5885705 | 0.68 | KDM4E (0.49) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL29161288 | 0.67 | ALDH1A1 (0.50) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL23460858 | 0.67 | KDM4E (0.48) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL9179287 | 0.66 | KDM4E (0.51) | ALDH1A1KDM4EHPGDHTTCYP1A2 | |
| SCHEMBL9184873 | 0.66 | ALDH1A1 (0.46) | ALDH1A1KDM4EMEN1KMT2AHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1079835-A4 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-29 | — | — | EP | disclosed |
| EP-1079835-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999059591-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-11-25 | — | — | WO | disclosed |