Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 7/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779862 | 0.88 | ITGB2 (0.50) | ITGB2ICAM1ITGALRAB9ANPC1 | |
| SCHEMBL194494 | 0.81 | — | — | |
| SCHEMBL29474232 | 0.81 | — | — | |
| SCHEMBL8488851 | 0.78 | ITGB2 (0.40) | ITGB2ICAM1ITGALALDH1A1KDM4E | |
| SCHEMBL8489261 | 0.73 | TP53 (0.38) | RAB9ANPC1ALDH1A1KDM4EHPGD | |
| SCHEMBL3787206 | 0.72 | CCR2 (0.46) | ITGB2ICAM1ITGALRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL7652752 | 0.72 | ITGB2 (0.65) | ITGB2ICAM1ITGALALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL7606519 | 0.72 | ITGB2 (0.57) | ITGB2ICAM1ITGALALDH1A1KDM4E | |
| SCHEMBL29928728 | 0.71 | CCR2 (0.45) | ITGB2ICAM1ITGALRAB9ANPC1 | |
| SCHEMBL931397 | 0.71 | CCR2 (0.45) | ITGB2ICAM1ITGALRAB9ANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |
| US-5741933-A | HYDROLYSIS; OXIDATION | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1998-04-21 | — | — | US | disclosed |