Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.37 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7887020 | 1.00 | HPGD (0.40) | HPGDALDH1A1MAPTCYP2A6KDM4E | |
| SCHEMBL29952696 | 0.81 | CYP2A6 (0.44) | HPGDALDH1A1MAPTCYP2A6KDM4E | |
| SCHEMBL1859259 | 0.81 | CYP2A6 (0.44) | HPGDALDH1A1MAPTCYP2A6KDM4E | |
| SCHEMBL5045603 | 0.77 | MAPT (0.46) | HPGDALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL2463003 | 0.76 | DYRK1A (0.38) | HPGDALDH1A1MAPTCYP2A6KDM4E | |
| SCHEMBL11306935 | 0.76 | EGFR (0.41) | ALDH1A1KDM4EMEN1GAAKMT2A | |
| SCHEMBL20150816 | 0.76 | GRIN2D (0.38) | HPGDALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL1797414 | 0.76 | VCAM1 (0.38) | HPGDMAPTKDM4EMEN1KMT2A | |
| SCHEMBL1797415 | 0.76 | VCAM1 (0.38) | HPGDMAPTKDM4EMEN1KMT2A | |
| SCHEMBL7375104 | 0.76 | GRIN2D (0.38) | HPGDALDH1A1MAPTKDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |