Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of 2-Thiophenenecarboxaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7798596 | 0.85 | ALDH1A1 (0.39) | HCAR2SMN1; SMN2KMT2ARAB9ANPC1 | |
| 2-Thiophenenecarboxaldehyde SCHEMBL15874509 | 0.84 | HCAR2 (0.57) | HCAR2SMN1; SMN2PLA2G7KMT2ADPP4 | |
| 2-Thiophenenecarboxaldehyde SCHEMBL27810291 | 0.84 | RAB9A (0.45) | HCAR2SMN1; SMN2KMT2ADPP4RAB9A | |
| 2-Thiophenenecarboxaldehyde SCHEMBL16042318 | 0.82 | HCAR2 (0.55) | HCAR2SMN1; SMN2PLA2G7KMT2ADPP4 | |
| 2-Thiophenenecarboxaldehyde SCHEMBL9008719 | 0.82 | HCAR2 (0.55) | HCAR2SMN1; SMN2PLA2G7KMT2ADPP4 | |
| 2-Thiophenenecarboxaldehyde SCHEMBL31206 | 0.82 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL8840818 | 0.82 | SMN1; SMN2 (0.54) | HCAR2SMN1; SMN2KMT2ADPP4RAB9A | |
| 2-Thiophenenecarboxaldehyde SCHEMBL11105085 | 0.81 | HCAR2 (0.46) | HCAR2SMN1; SMN2PLA2G7KMT2ARAB9A | |
| 2-Thiophenenecarboxaldehyde SCHEMBL28578457 | 0.80 | HCAR2 (0.47) | HCAR2SMN1; SMN2KMT2ADPP4RAB9A | |
| 2-Thiophenenecarboxaldehyde SCHEMBL28030121 | 0.80 | HCAR2 (0.50) | HCAR2SMN1; SMN2PLA2G7KMT2ADPP4 |
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-6121054-A | DIVIDING FLUIDS AND PRECIPITATES; POSITIONING MULTICOMPARTMENT VESSELS ON SUPPORTS, SPINNING A CENTRIFUGE, ALLOWING PRECIPITATES TO SEDIMENT INTO VESSELS, EXCESS FLUIDS WILL BE EJECTED FROM THE TOP OF THE VESSEL | TREGA BIOSCIENCES, INC. (US) | 2000-09-19 | — | — | US | disclosed |