Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.31 |
| ▸ | MMP2 | P08253 | 6/20 | 0.31 |
| ▸ | MMP3 | P08254 | 4/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15956851 | 0.70 | CYP2C9 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8307945 | 0.70 | MEN1 (0.32) | L3MBTL1 | |
| SCHEMBL9122354 | 0.70 | HCAR2 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19MMP2 | |
| SCHEMBL15772119 | 0.69 | NPC1 (0.39) | CNR2CNR1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8303408 | 0.69 | HCAR2 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19MMP2 | |
| SCHEMBL13728858 | 0.67 | SMN1; SMN2 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL13731111 | 0.66 | ACACB (0.34) | CYP1A2CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL13734135 | 0.65 | NPC1 (0.57) | CNR2CNR1SMN1; SMN2 | |
| SCHEMBL13731696 | 0.65 | RAB9A (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19CNR2 | |
| SCHEMBL13728974 | 0.65 | POLB (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5580987-A | TREATING 1-PHTHALIMIDOPYRROLE WITH BASE TO YIELD 1-AMINOPYRROLE, REACTING WITH SUBSTITUTED AMINO ACID TO OBTAIN DESIRED COMPOUND | HOECHST MARION ROUSSEL, INC. (US) | 1996-12-03 | — | — | US | disclosed |