Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Phthalic 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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL28727341 | 0.98 | SMN1; SMN2 (0.73) | SMN1; SMN2TSHRALDH1A1ALOX15KDM4E | |
| SCHEMBL27725318 | 0.88 | TSHR (0.59) | SMN1; SMN2TSHRALDH1A1ALOX15KDM4E | |
| Water SCHEMBL9064629 | 0.86 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1HSD17B10POLB | |
| Water SCHEMBL338461 | 0.86 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1HSD17B10POLB | |
| Water SCHEMBL3932080 | 0.86 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1HSD17B10POLB | |
| Water SCHEMBL912228 | 0.86 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1HSD17B10POLB | |
| Water SCHEMBL28988244 | 0.86 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1HSD17B10POLB | |
| Water SCHEMBL9212693 | 0.86 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1HSD17B10POLB | |
| Salicylic Acid SCHEMBL11789952 | 0.86 | KDM4E (0.69) | SMN1; SMN2TSHRALDH1A1ALOX15KDM4E | |
| Phthalic Acid SCHEMBL5389196 | 0.84 | AKR1C3 (0.58) | SMN1; SMN2TSHRALDH1A1ALOX15KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5445868-A | Color absorbing layer made of porous inorganic oxide, formed on substrate, oxide layer contains an aromatic acid having atleast two carboxylic group; used in ink jet printers | ASAHI GLASS COMPANY LTD. (JP) | 1995-08-29 | — | — | US | disclosed |