Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 2/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.61 |
| ▸ | CTSV | O60911 | 3/20 | 0.60 |
| ▸ | CTSL | P07711 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7327512 | 0.85 | NPC1 (0.63) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL9653543 | 0.82 | C5AR1 (0.59) | NPC1RAB9AHDAC1HDAC2CTSV | |
| SCHEMBL17372654 | 0.81 | NPC1 (0.60) | NPC1RAB9AHDAC1HDAC2CTSV | |
| SCHEMBL7356345 | 0.80 | NPC1 (0.65) | NPC1RAB9AHDAC1HDAC2CTSV | |
| SCHEMBL7323568 | 0.80 | CYP3A4 (0.64) | NPC1RAB9AHDAC1HDAC2CTSV | |
| SCHEMBL22502390 | 0.80 | C5AR1 (0.62) | NPC1RAB9AHDAC1CTSVCTSL | |
| SCHEMBL3241459 | 0.79 | MEN1 (0.81) | NPC1RAB9AHDAC1HDAC2CTSV | |
| SCHEMBL832694 | 0.78 | LTA4H (0.65) | RAB9ACTSVCTSLMEN1KMT2A | |
| SCHEMBL9653129 | 0.77 | C5AR1 (0.59) | NPC1RAB9AHDAC1HDAC2CTSV | |
| SCHEMBL17372673 | 0.77 | NPC1 (0.55) | NPC1RAB9AHDAC1HDAC2CTSV |
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-0852142-A1 | Diamines in the treatment of arrhythmia | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1998-07-08 | — | — | EP | disclosed |
| EP-0639973-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1995-03-01 | — | — | EP | disclosed |
| WO-1993023024-A1 | DIAMINES IN THE TREATMENT OF ARRHYTHMIA | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1993-11-25 | — | — | WO | disclosed |