Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isophthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | CA6 | P23280 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 1/20 | 0.65 |
| ▸ | DAO | P14920 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.60 |
| ▸ | KMO | O15229 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | UNG | P13051 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.56 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
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 SCHEMBL10696844 | 0.97 | CA12 (0.68) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL28472509 | 0.97 | CA12 (0.68) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL106981 | 0.97 | CA12 (0.68) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL15573241 | 0.94 | CA12 (0.65) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL147366 | 0.94 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL20500514 | 0.94 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL28462260 | 0.94 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL22462 | 0.94 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL2512374 | 0.94 | CA12 (0.71) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL28756611 | 0.94 | CA12 (0.71) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6951913-B2 | Silicone-modified sulphonated comb polymers and preparations, in particular hair cosmetic preparations, based on such silicone-modified sulphonated comb polymers | Beiersdörf AG (DE) | 2005-10-04 | — | — | US | disclosed |
| US-20040072966-A1 | Silicone-modified sulphonated comb polymers and preparations, in particular hair cosmetic preparations, based on such silicone-modified sulphonated comb polymers | BEIERSDORF AG | 2004-04-15 | — | — | US | disclosed |