Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7170720 | 0.75 | TP53 (0.50) | TP53TSHRALDH1A1CALM1 | |
| SCHEMBL2032974 | 0.74 | CALM1 (0.50) | TP53TSHRALDH1A1SMN1; SMN2CALM1 | |
| Fluoride SCHEMBL27912944 | 0.73 | TP53 (0.48) | TP53TSHRALDH1A1CALM1 | |
| SCHEMBL19809460 | 0.71 | TP53 (0.46) | TP53TSHRALDH1A1SMN1; SMN2CALM1 | |
| Diphenylmethane SCHEMBL4694519 | 0.70 | CALM1 (0.63) | TP53TSHRALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL16478 | 0.70 | TSHR (0.70) | TP53TSHRALDH1A1SMN1; SMN2RAB9A | |
| Ether SCHEMBL2780317 | 0.70 | TP53 (0.50) | TP53TSHRALDH1A1SMN1; SMN2RAB9A | |
| Ethylbenzene SCHEMBL4054027 | 0.70 | TP53 (0.74) | TP53TSHRALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL14956991 | 0.70 | LTA4H (0.34) | TP53TSHRALDH1A1LTA4HKCNH2 | |
| SCHEMBL2239541 | 0.70 | TP53 (0.44) | TP53TSHRALDH1A1SMN1; SMN2RAB9A |
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-2020110056-A1 | COMPOUNDS USEFUL IN HIV THERAPY | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2020-06-04 | — | — | WO | disclosed |