Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL481712 | 1.00 | CYP3A4 (0.50) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL28706 | 1.00 | CYP3A4 (0.50) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL29395 | 0.89 | CYP3A4 (0.55) | CYP3A4TSHRLMNABLMALDH1A1 | |
| Octadecylamine SCHEMBL31542019 | 0.89 | CYP3A4 (0.64) | CYP3A4TSHRDNM1ALDH1A1LPAR3 | |
| SCHEMBL6953430 | 0.89 | TSHR (0.54) | CYP3A4TSHRDNM1ALDH1A1LPAR3 | |
| SCHEMBL16187636 | 0.86 | TSHR (0.56) | CYP3A4CA12CA1CA2CA9 | |
| SCHEMBL20738949 | 0.86 | CYP3A4 (0.43) | CYP3A4CA12CA1CA2CA3 | |
| Hydrochloric Acid SCHEMBL15619458 | 0.84 | TSHR (0.54) | CYP3A4TSHRLMNABLMDNM1 | |
| SCHEMBL6712517 | 0.82 | CA12 (0.40) | CYP3A4CA12CA1CA2CA3 | |
| SCHEMBL23631720 | 0.80 | ITPR3 (0.47) | CYP3A4CA12CA1CA2CA3 |
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-4279838-A | HYDROLYZING AN N-ACETYLAMINOARYL THIOPHOSPHATE OR PHOSPHATE | MITSUI TOATSU CHEMICALS INC. (JP) | 1981-07-21 | — | — | US | claimed |
| US-4422976-A | ORGANIC PRIMARY AMINES AND PHOSGENE | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1983-12-27 | — | — | US | disclosed |