Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 6/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.37 |
| ▸ | TUBB | P07437 | 2/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.37 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8047935 | 0.87 | ADRA1D (0.52) | ADRA1DADRA1AADRA1BMEN1KMT2A | |
| SCHEMBL8047953 | 0.82 | ADRA1D (0.40) | ADRA1DADRA1AADRA1BMEN1KMT2A | |
| SCHEMBL8063073 | 0.81 | CA9 (0.54) | KMT2AHDAC1HDAC2CA12CA9 | |
| SCHEMBL6992950 | 0.73 | CA12 (0.65) | ADRA1DADRA1AADRA1BMEN1KMT2A | |
| SCHEMBL10883413 | 0.72 | GABRA1 (0.37) | ADRA1DADRA1AADRA1BCA12CA9 | |
| SCHEMBL10907321 | 0.72 | GABRA1 (0.37) | ADRA1DADRA1AADRA1BCA12CA9 | |
| SCHEMBL8667683 | 0.71 | HDAC1 (0.38) | ADRA1DADRA1AADRA1BHDAC1HDAC2 | |
| SCHEMBL8667641 | 0.68 | ADRA1D (0.39) | ADRA1DADRA1AADRA1BMEN1KMT2A | |
| SCHEMBL8063075 | 0.68 | CA9 (0.69) | KMT2AHDAC1HDAC2CA12CA9 | |
| SCHEMBL7815416 | 0.67 | ADRA1D (0.51) | ADRA1DADRA1AADRA1BMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6096763-A | ADMINISTERING TO THE PATIENTS A2-OXO-1-BENZIMIDAZOLINYL)PIPERIDIN-1-YL)ALKYL)-1,2BENZISOTHIA ZOL-3-(2H)-ONE DERIVATIVE AS ALPHA-1A ADRENERGIC RECEPTOR ANTAGONIST | MERCK & CO., INC. (US) | 2000-08-01 | — | — | US | disclosed |
| US-5952351-A | DERIVATIVES OF 1,1,3-TRIOXO-2-((2-OXOBENZIMIDAZOLIN- OR BENZOXAZOLIN-2-YL)-PIPERIDIN-4,1-YLENE-)-1,2-BENZISOTHIAZOLE; TREATMENT OF BENIGN PROSTATIC HYPERPLASIA; SELECTIVE RELAXATION OF SMOOTH MUSCLE WITHOUT INDUCING HYPOTENSION | MERCK & CO., INC. (US) | 1999-09-14 | — | — | US | disclosed |