Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599473 | 0.79 | IRAK4 (0.44) | ALDH1A1KDM4ETDP1L3MBTL1MAPT | |
| SCHEMBL7894151 | 0.79 | MAPT (0.40) | ALDH1A1SMN1; SMN2HPGDKDM4ERAB9A | |
| SCHEMBL8412134 | 0.74 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HPGDP2RX7MAPT | |
| SCHEMBL7895622 | 0.74 | GPR35 (0.37) | ALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL7599531 | 0.73 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDP2RX7 | |
| SCHEMBL4261100 | 0.72 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HPGDP2RX7 | |
| SCHEMBL7887040 | 0.71 | MAPT (0.42) | KDM4EP2RX7MAPT | |
| SCHEMBL7597337 | 0.70 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HPGDP2RX7 | |
| SCHEMBL7894210 | 0.70 | P2RX7 (0.41) | P2RX7 | |
| SCHEMBL7599406 | 0.69 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2HPGDP2RX7 |
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-5763474-A | SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |