Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.45 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.45 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.45 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4407734 | 0.87 | ABCC9 (0.59) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL6105640 | 0.86 | GAA (0.62) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8670859 | 0.85 | GAA (0.48) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL6642520 | 0.80 | POLB (0.63) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768090 | 0.78 | POLB (0.51) | GAAMAPTPOLBCXCR2 | |
| SCHEMBL7898502 | 0.73 | ABCC9 (0.41) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7895099 | 0.72 | LOXL2 (0.46) | GAAMAPTPOLBKDM4EALDH1A1 | |
| SCHEMBL8768882 | 0.72 | CXCR2 (0.50) | ABCC9ABCC8KCNJ11KCNJ8POLB | |
| SCHEMBL8768157 | 0.72 | CXCR2 (0.45) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL12261161 | 0.71 | GAA (0.46) | GAAABCC9ABCC8KCNJ11KCNJ8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0789690-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-08-20 | — | — | EP | disclosed |
| US-5605909-A | REDUCING ADVERSE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| US-5532245-A | TO REDUCE SMOOTH MUSCLE CONTRACTIONS; TREATMENT FOR URINARY INCONTINENCE, IRITABLE BOWEL SYNDROME | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-07-02 | — | — | US | disclosed |
| WO-1996014300-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-17 | — | — | WO | disclosed |
| US-5466712-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-11-14 | — | — | US | disclosed |