Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18597159 | 0.79 | CA12 (0.32) | CA1CA12CA2CA9 | |
| SCHEMBL5209106 | 0.79 | CA1 (0.38) | CA1CA12CA2CA9MLYCD | |
| SCHEMBL12086283 | 0.79 | KDM4E (0.39) | KDM4ETSHRHSD17B10MLYCD | |
| SCHEMBL17471273 | 0.78 | CYP1A2 (0.32) | CA1CA12CA2CA9 | |
| SCHEMBL5209096 | 0.77 | CA1 (0.37) | CA1CA12CA2CA9MLYCD | |
| SCHEMBL5204671 | 0.74 | CA1 (0.34) | CA1CA12CA2CA9 | |
| SCHEMBL22058879 | 0.74 | KDM4E (0.36) | KDM4ETSHRHSD17B10 | |
| SCHEMBL20170366 | 0.74 | CA12 (0.34) | CA1CA12CA2CA9 | |
| SCHEMBL14417164 | 0.72 | KDM4E (0.35) | KDM4ETSHRHSD17B10MLYCD | |
| SCHEMBL20924899 | 0.71 | CA12 (0.32) | CA1CA12CA2CA9 |
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-6248885-B1 | 1. TERT-OCTYLDI-N-PROPLYLAMINE. 2. TERT-OCTYL-N-MORPHOLINE-BORANE. | SIGMA-ALDRICH CO. | 2001-06-19 | — | — | US | disclosed |