Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.78 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA3 | P07451 | 2/20 | 0.53 |
| ▸ | CA4 | P22748 | 2/20 | 0.53 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | BCL2 | P10415 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL543922 | 1.00 | NR1H2 (0.78) | NR1H2CA12CA1CA2CA3 | |
| Diphenylsulfane SCHEMBL11742482 | 0.92 | CA12 (0.65) | NR1H2CA12CA1CA2CA3 | |
| Diphenylsulfane SCHEMBL29281661 | 0.90 | MMP3 (0.67) | NR1H2CA12CA1CA2CA3 | |
| SCHEMBL10914949 | 0.88 | NR1H2 (1.00) | NR1H2CA12CA1CA2CA3 | |
| SCHEMBL29726 | 0.88 | NR1H2 (1.00) | NR1H2CA12CA1CA2CA3 | |
| Phenol SCHEMBL4609083 | 0.87 | NR1H2 (0.67) | NR1H2CA12CA1CA2CA3 | |
| SCHEMBL7929214 | 0.87 | MMP3 (0.71) | NR1H2CA12CA1CA2CA3 | |
| SCHEMBL28981220 | 0.87 | ESR1 (0.58) | NR1H2CA12CA1CA2CA3 | |
| Diphenylsulfane SCHEMBL4163230 | 0.85 | CYP3A4 (0.59) | NR1H2CA12CA1CA2CA3 | |
| SCHEMBL10890396 | 0.85 | NR1H2 (0.93) | NR1H2CA12CA1CA2CA3 |
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-4183874-A | CURABLE BY HYDROLYSIS AND CROSSLINKING OF END GROUPS | UNION CARBIDE CORPORATION (US) | 1980-01-15 | — | — | US | disclosed |
| US-4093600-A | COUPLING OR SIZING AGENTS FOR MINERAL FIBERS | UNION CARBIDE CORPORATION (US) | 1978-06-06 | — | — | US | disclosed |