Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ESPL1 | Q14674 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 2/20 | 0.38 |
| ▸ | CASP4 | P49662 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | CASP9 | P55211 | 2/20 | 0.38 |
| ▸ | CASP6 | P55212 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31019598 | 0.91 | CYP1A2 (0.39) | TDP1MPICYP1A2ESPL1L3MBTL1 | |
| SCHEMBL8329948 | 0.84 | MPI (0.41) | TDP1MPIESPL1L3MBTL1NR1H2 | |
| SCHEMBL13591499 | 0.84 | MPI (0.41) | TDP1MPIESPL1L3MBTL1NR1H2 | |
| SCHEMBL9205712 | 0.84 | CYP1A2 (0.46) | TDP1CYP1A2ESPL1L3MBTL1NR1H2 | |
| SCHEMBL4612174 | 0.81 | TDP1 (0.59) | TDP1MPIESPL1L3MBTL1NR1H2 | |
| SCHEMBL12659865 | 0.76 | CYP1A2 (0.43) | TDP1CYP1A2ESPL1L3MBTL1NR1H2 | |
| SCHEMBL5862177 | 0.76 | CYP1A2 (0.43) | CYP1A2ESPL1L3MBTL1NR1H2NR1H3 | |
| SCHEMBL8310714 | 0.76 | CYP1A2 (0.43) | TDP1CYP1A2ESPL1L3MBTL1MAPT | |
| SCHEMBL9750408 | 0.76 | KCNK2 (0.45) | MAPTLMNAALDH1A1 | |
| Perchlorate SCHEMBL7652081 | 0.75 | MPI (0.53) | TDP1MPIESPL1L3MBTL1NR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120858-A | Condensation of 2-methyleneindoline and formic acid in acetic anhydride | MILES INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0058863-B1 | PROCESS FOR THE PREPARATION OF TRIMETHINE DYESTUFFS | BAYER AG (DE) | 1985-01-23 | — | — | EP | disclosed |
| US-4419511-A | Process for the preparation of trimethine dyestuffs | BAYER AKTIENGESELLSCHAFT (US) | 1983-12-06 | — | — | US | disclosed |