Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.39 |
| ▸ | RHOA | P61586 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL27603591 | 0.79 | CA12 (0.44) | CA12CA1CA2CA6CA9 | |
| SCHEMBL47767 | 0.77 | — | — | |
| Isophthalic Acid SCHEMBL28375462 | 0.75 | CA12 (0.60) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL680956 | 0.75 | CA12 (0.60) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL27688117 | 0.73 | KDM4E (0.53) | HCAR3PKML3MBTL1KMT2AKDM4E | |
| Isophthalic Acid SCHEMBL27663245 | 0.73 | GRM5 (0.54) | KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL939810 | 0.72 | KMO (0.55) | CA12CA1CA2CA6CA9 | |
| SCHEMBL29364240 | 0.72 | KMO (0.55) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL27861456 | 0.72 | SIRT2 (0.44) | HCAR3CA12CA1CA2CA6 | |
| Isophthalic Acid SCHEMBL29023597 | 0.71 | CA12 (0.60) | CA12CA1CA2CA6CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101693690-A | N,N-substituent-1-(1H-pyrazole-3-yl) methylamine and preparation method thereof | UNIV SOUTHEAST | 2010-04-14 | — | — | CN | disclosed |