Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | AGBL2 | Q5U5Z8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13698378 | 0.78 | — | — | |
| SCHEMBL7447820 | 0.76 | SMN1; SMN2 (0.49) | LMNAHSD17B10ALDH1A1TSHRKDM4E | |
| SCHEMBL13939862 | 0.74 | TBXAS1 (0.35) | TBXAS1ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL7412252 | 0.74 | ALDH1A1 (0.54) | LMNAALDH1A1TSHR | |
| SCHEMBL1850049 | 0.74 | KDM4E (0.43) | TBXAS1CYP2C19HSD17B10NAPRTALDH1A1 | |
| SCHEMBL9593515 | 0.74 | — | — | |
| Imidazoleacetic Acid SCHEMBL360337 | 0.74 | — | — | |
| Imidazoleacetic Acid SCHEMBL17375738 | 0.72 | TBXAS1 (0.56) | GABRR1TBXAS1CYP2C19HSD17B10ALDH1A1 | |
| Imidazoleacetic Acid SCHEMBL2172193 | 0.72 | TBXAS1 (0.59) | GABRR1TBXAS1LMNACYP2C19HSD17B10 | |
| Imidazoleacetic Acid SCHEMBL15007471 | 0.72 | TBXAS1 (0.56) | GABRR1TBXAS1CYP2C19HSD17B10ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101522687-A | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA INC (US) | 2009-09-02 | — | — | CN | disclosed |
| EP-1086122-A1 | PYRAZINONE PROTEASE INHIBITORS | Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064446-A1 | PYRAZINONE PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-12-16 | — | — | WO | disclosed |