Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5056943 | 0.77 | CYP1A2 (0.46) | CYP1A2RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL1177045 | 0.73 | CES2 (0.34) | CYP1A2RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL1061187 | 0.71 | — | — | |
| SCHEMBL2643994 | 0.71 | — | — | |
| Water SCHEMBL28549194 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5757557 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL28558701 | 0.70 | — | — | |
| SCHEMBL30116320 | 0.70 | — | — | |
| SCHEMBL4263883 | 0.68 | — | — | |
| SCHEMBL1767961 | 0.67 | — | — |
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-1723138-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS | Basilea Pharmaceutica AG (CH) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005077939-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS | BASILEA PHARMACEUTICA AG (CH) | 2005-08-25 | — | — | WO | disclosed |