Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.42 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348296 | 0.87 | TRPV1 (0.47) | PLK1RAB9APOLBLMNATSHR | |
| SCHEMBL7357470 | 0.78 | PLK1 (0.61) | PLK1KDRMAPK1MAPK8MAPK9 | |
| SCHEMBL7353722 | 0.78 | RAB9A (0.51) | RAB9APOLBLMNATSHRHSD17B10 | |
| SCHEMBL2622213 | 0.74 | TRPV1 (0.54) | RAB9APOLBLMNATSHRHSD17B10 | |
| SCHEMBL7354053 | 0.71 | PLK1 (0.50) | PLK1RAB9APOLBLMNABRAF | |
| SCHEMBL27999192 | 0.69 | RAB9A (0.58) | RAB9APOLBLMNATSHRHSD17B10 | |
| SCHEMBL5796726 | 0.68 | RAB9A (0.56) | RAB9APOLBLMNATSHRHSD17B10 | |
| SCHEMBL13996542 | 0.68 | NPC1 (0.51) | PLK1RAB9APOLBLMNATSHR | |
| SCHEMBL12895711 | 0.68 | RAB9A (0.59) | RAB9APOLBLMNATSHRHSD17B10 | |
| SCHEMBL2111139 | 0.67 | KDM4E (0.58) | RAB9APOLBLMNAHSD17B10KDM4E |
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 11 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 |
| US-5506252-A | MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-04-09 | — | — | US | 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 |