Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 9/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 9/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 9/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 9/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 9/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 9/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL744065 | 0.84 | HDAC3 (0.56) | ALDH1A1ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL13339676 | 0.83 | HDAC3 (0.52) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3493153 | 0.82 | HDAC3 (0.52) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4278683 | 0.81 | HDAC3 (0.58) | ATMHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1811484 | 0.79 | HDAC3 (0.58) | ATMHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11246168 | 0.79 | TP53 (0.60) | ALDH1A1NPC1TP53MAPTTSHR | |
| SCHEMBL13339743 | 0.79 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2HDAC3 | |
| Hydrochloric Acid SCHEMBL3492500 | 0.78 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL15178391 | 0.76 | HDAC3 (0.56) | ALDH1A1ATMHDAC3HDAC4HDAC1 | |
| SCHEMBL3493476 | 0.74 | HDAC3 (0.56) | ALDH1A1ATMHDAC3HDAC4HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831824-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2001-05-02 | — | — | EP | disclosed |
| EP-0831824-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039140-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1996-12-12 | — | — | WO | disclosed |