Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.42 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6995220 | 0.77 | KMT2A (0.42) | NPC1KMT2AMEN1ALDH1A1TACR1 | |
| Fluorobenzene SCHEMBL27404981 | 0.71 | KMT2A (0.43) | KMT2AMEN1ALDH1A1TACR1POLB | |
| SCHEMBL6998052 | 0.66 | CYP2D6 (0.41) | NPC1KMT2AMEN1ALDH1A1TACR1 | |
| SCHEMBL6993832 | 0.66 | LMNA (0.48) | NPC1KMT2AMEN1ALDH1A1RAB9A | |
| SCHEMBL6997070 | 0.64 | KMT2A (0.37) | NPC1KMT2AMEN1ALDH1A1TACR1 | |
| SCHEMBL7486265 | 0.64 | TSHR (0.49) | NPC1KMT2AMEN1ALDH1A1TACR1 | |
| SCHEMBL10641372 | 0.63 | KMT2A (0.53) | NPC1KMT2AMEN1ALDH1A1RAB9A | |
| Fluorobenzene SCHEMBL27378912 | 0.63 | TACR1 (0.48) | NPC1KMT2AMEN1ALDH1A1RAB9A | |
| SCHEMBL6992507 | 0.63 | ALDH1A1 (0.45) | ALDH1A1POLBLMNATP53 | |
| SCHEMBL9427908 | 0.60 | KMT2A (0.45) | KMT2AMEN1TACR1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0874843-A1 | NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997022604-A1 | NOVEL SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL)[1,4]DIAZEPANES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | HOECHST MARION ROUSSEL, INC. (US) | 1997-06-26 | — | — | WO | disclosed |