Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | PLK1 | P53350 | 5/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALPL | P05186 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7346503 | 0.87 | PLK1 (0.49) | TRPV1KDM4EPLK1TNFRAB9A | |
| SCHEMBL7354053 | 0.83 | PLK1 (0.50) | PLK1RAB9ANPC1POLBSMN1; SMN2 | |
| SCHEMBL7357470 | 0.82 | PLK1 (0.61) | PLK1KDRMAPKAPK2 | |
| SCHEMBL2622213 | 0.81 | TRPV1 (0.54) | TRPV1KDM4ETNFRAB9ANPC1 | |
| SCHEMBL7353722 | 0.76 | RAB9A (0.51) | TRPV1KDM4ETNFRAB9ANPC1 | |
| SCHEMBL19808351 | 0.74 | PLK1 (0.60) | PLK1MAPKAPK2 | |
| SCHEMBL1926838 | 0.72 | PLK1 (0.68) | PLK1KDRMAPKAPK2 | |
| SCHEMBL2111139 | 0.71 | KDM4E (0.58) | KDM4ETNFRAB9ANPC1POLB | |
| SCHEMBL7349452 | 0.70 | PLK1 (0.55) | PLK1RAB9ANPC1KDRMAPKAPK2 | |
| SCHEMBL29433018 | 0.69 | RAB9A (0.67) | TRPV1KDM4ERAB9ANPC1POLB |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729457-B1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PROD (US) | 1998-12-23 | — | — | EP | claimed |
| EP-0729457-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-09-04 | — | — | EP | claimed |
| WO-1995014005-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-26 | — | — | WO | claimed |
| US-5401753-A | Smooth muscle relaxants for urogenital disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-03-28 | — | — | US | claimed |
| EP-0729457-B1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PROD (US) | 1998-12-23 | — | — | EP | disclosed |
| EP-0729457-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5506252-A | MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-04-09 | — | — | US | disclosed |
| WO-1995014005-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-26 | — | — | WO | disclosed |
| US-5403854-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-04-04 | — | — | US | disclosed |
| US-5403853-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-04-04 | — | — | US | disclosed |
| US-5401753-A | Smooth muscle relaxants for urogenital disorders | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-03-28 | — | — | US | disclosed |
| US-5397790-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-03-14 | — | — | US | disclosed |
| US-5354763-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-10-11 | — | — | US | disclosed |