Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 3/20 | 0.42 |
| ▸ | CD40 | P25942 | 1/20 | 0.41 |
| ▸ | CD40LG | P29965 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CHAT | P28329 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.40 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.40 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.40 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 4/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL27435036 | 0.81 | IDO1 (0.57) | CYP1A2CCR8CD40CD40LGCHAT | |
| SCHEMBL7298774 | 0.80 | CA1 (0.48) | PARP1CDC25AFABP4TTR | |
| SCHEMBL23154838 | 0.80 | KDM4E (0.47) | CYP1A2CCR8CD40CD40LGCHAT | |
| SCHEMBL23154828 | 0.79 | CA12 (0.47) | CDC25ACHATFABP4ALDH1A1APEX1 | |
| Hydrochloric Acid SCHEMBL11157253 | 0.77 | TTR (0.59) | CYP1A2SNCACTRB1TNNI3TNNT2 | |
| Hydrochloric Acid SCHEMBL9082410 | 0.77 | TTR (0.49) | CYP1A2CCR8CD40CD40LGCHAT | |
| SCHEMBL6120265 | 0.77 | CD40 (0.50) | CYP1A2CCR8CD40CD40LGTTR | |
| SCHEMBL12878528 | 0.76 | IDO1 (0.55) | CYP1A2CCR8CD40CD40LGCHAT | |
| Hydrochloric Acid SCHEMBL8861874 | 0.76 | KMT2A (0.57) | CCR8CD40CD40LGCTRB1ALDH1A1 | |
| SCHEMBL10815702 | 0.76 | CNR1 (0.55) | CYP1A2CCR8ALDH1A1 |
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-4143033-A | WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT | CASSELLA AKTIENGESELLSCHAFT (DE) | 1979-03-06 | — | — | US | disclosed |