Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.67 |
| ▸ | ACHE | P22303 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL15875996 | 0.93 | TSHR (0.77) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL9421590 | 0.89 | TSHR (0.83) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL2854068 | 0.82 | — | — | |
| O-Xylene SCHEMBL10522915 | 0.82 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL29385454 | 0.82 | — | — | |
| O-Xylene SCHEMBL11035539 | 0.82 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL170581 | 0.82 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL8216257 | 0.82 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL11034038 | 0.82 | TSHR (1.00) | TSHRACHEALDH1A1CA1CA2 | |
| O-Xylene SCHEMBL772 | 0.82 | — | — |
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-5582020-A | Chemical/mechanical system and method using two-phase/two-component compression heat pump | MAINSTREAM ENGINEERING CORPORATION (US) | 1996-12-10 | — | — | US | disclosed |