Known targets — ChEMBL curated mechanism
ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4
The experimentally established mechanism targets of Isocitrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.43 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.41 |
| ▸ | KDM4A | O75164 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.41 |
| ▸ | TET3 | O43151 | 1/20 | 0.41 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.36 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC13A3 | Q8WWT9 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 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 | |
|---|---|---|---|---|
| Isocitric Acid SCHEMBL30700829 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitric Acid SCHEMBL2794437 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitrate SCHEMBL1289944 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitric Acid SCHEMBL6249818 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitrate SCHEMBL8373 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitric Acid SCHEMBL27894954 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitric Acid SCHEMBL12927570 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitric Acid SCHEMBL29645996 | 0.93 | TDP1 (0.68) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitrate SCHEMBL23648394 | 0.90 | TDP1 (0.65) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 | |
| Isocitrate SCHEMBL2396434 | 0.90 | TDP1 (0.65) | TDP1SMN1; SMN2LMNAFOLH1SLC22A6 |
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-107406688-A | The Hydrophobicity Finishing agent composition and its construction products of manufacture that flowing time with extension is kept | 美国石膏公司 | 2017-11-28 | — | — | CN | disclosed |