Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11684866 | 0.87 | CA12 (0.48) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL455742 | 0.85 | CA12 (0.46) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL182567 | 0.83 | CA1 (0.61) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL751749 | 0.80 | CA12 (0.58) | CA12CA1CA9MMP1MMP2 | |
| Hydrogen Sulfide SCHEMBL28326725 | 0.80 | CA1 (0.58) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL8012626 | 0.80 | CA1 (0.48) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL17363593 | 0.79 | CA12 (0.41) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL673393 | 0.78 | CA12 (0.56) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL8773488 | 0.78 | CA12 (0.56) | CA12CA1CA9MMP1MMP2 | |
| SCHEMBL154175 | 0.78 | CA12 (0.56) | CA12CA1CA9MMP1MMP2 |
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-6750365-B2 | Thermal dissociation of allophanates | BASF AKTIENGESELLSCHAFT (DE) | 2004-06-15 | — | — | US | disclosed |
| US-20020161257-A1 | Thermal dissociation of allophanates | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-31 | — | — | US | disclosed |