Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4423634 | 0.76 | — | — | |
| SCHEMBL11500428 | 0.67 | CALM1 (0.38) | CALM1EPHX1TSHRALDH1A1LOXL2 | |
| SCHEMBL7850894 | 0.67 | CALM1 (0.43) | CALM1EPHX1TSHRALDH1A1LOXL2 | |
| SCHEMBL10717283 | 0.67 | CALM1 (0.43) | CALM1EPHX1TSHRALDH1A1LOXL2 | |
| SCHEMBL9741303 | 0.61 | ALDH1A1 (0.69) | CALM1ALDH1A1LOXL2SIGMAR1MAOB | |
| Diphenylmethane SCHEMBL14763944 | 0.61 | CALM1 (1.00) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| Diphenylmethane SCHEMBL1303 | 0.61 | CALM1 (1.00) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| Diphenylmethane SCHEMBL4361124 | 0.61 | CALM1 (1.00) | CALM1TSHRALDH1A1LOXL2IDO1 | |
| SCHEMBL62125 | 0.61 | ALDH1A1 (0.69) | CALM1ALDH1A1LOXL2SIGMAR1MAOB | |
| Diphenylmethane SCHEMBL3792579 | 0.61 | CALM1 (1.00) | CALM1TSHRALDH1A1LOXL2IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021078827-A1 | PRECISION-PRESERVING QUBIT REDUCTION BASED ON SPATIAL SYMMETRIES IN FERMIONIC SYSTEMS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2021-04-29 | — | — | WO | disclosed |