Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cystamine. 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 | |
|---|---|---|---|---|
| ▸ | NOS1 known ✓ | P29475 | 5/20 | 0.42 |
| ▸ | NOS2 known ✓ | P35228 | 6/20 | 0.32 |
| ▸ | NOS3 known ✓ | P29474 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Cystamine SCHEMBL9187228 | 0.90 | TSHR (0.59) | TSHRTHPOMAPTTDP1EHMT2 | |
| Cystamine SCHEMBL445194 | 0.82 | TSHR (0.62) | TSHRTHPOMAPTTDP1EHMT2 | |
| Cystamine SCHEMBL31646100 | 0.82 | TSHR (0.62) | TSHRTHPOMAPTTDP1EHMT2 | |
| Acetic Acid SCHEMBL28203493 | 0.82 | FFAR3 (0.44) | TSHRMAPTTDP1NOS1CYP2C19 | |
| Cystamine SCHEMBL9417963 | 0.79 | TSHR (0.67) | TSHRTHPOMAPTTDP1EHMT2 | |
| Benzene SCHEMBL28038565 | 0.77 | FFAR3 (0.39) | TSHRCYP2C19CYP1A2LMNASMN1; SMN2 | |
| Acetic Acid SCHEMBL28261678 | 0.77 | TSHR (0.44) | TSHRMAPTTDP1NOS1CYP2C19 | |
| Cystamine SCHEMBL28174375 | 0.77 | TSHR (0.56) | TSHRTHPOMAPTTDP1EHMT2 | |
| Cystamine SCHEMBL2693177 | 0.76 | TDP1 (0.57) | TSHRTHPOMAPTTDP1EHMT2 | |
| Acetic Acid SCHEMBL8850911 | 0.76 | FFAR3 (0.58) | TSHRTHPOMAPTTDP1NOS1 |
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-104673096-B | Method for preparing coating with nitric oxide (NO) catalytic activity | 西南交通大学 | 2017-05-17 | — | — | CN | claimed |