Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL22166505 | 0.83 | ESR1 (0.37) | CA1CA2CA9CA12CA4 | |
| SCHEMBL22986135 | 0.83 | RAB9A (0.43) | CA1CA2CA9CA12CA4 | |
| SCHEMBL19879775 | 0.73 | ESR1 (0.41) | ESR1ALDH1A1NPC1RAB9AHSD17B10 | |
| SCHEMBL899006 | 0.71 | NPC1 (0.65) | ALDH1A1NPC1TSHRRAB9AMEN1 | |
| SCHEMBL24167716 | 0.71 | ALDH1A1 (0.56) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL20871663 | 0.70 | ALDH1A1 (0.44) | ESR1ALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL23464032 | 0.70 | ESR1 (0.45) | ESR1ALDH1A1TSHRHSD17B10MEN1 | |
| SCHEMBL22475767 | 0.70 | CA9 (0.51) | CA1CA2CA9CA12CA4 | |
| SCHEMBL26968787 | 0.68 | ESR1 (0.43) | ESR1THRATHRB | |
| SCHEMBL24735067 | 0.68 | HTR2A (0.36) | ESR1 |
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-9943603-B2 | Coferons and methods of making and using them | CORNELL UNIVERSITY (US) | 2018-04-17 | — | — | US | disclosed |