Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Thiocitrulline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 known ✓ | P35228 | 10/20 | 0.94 |
| ▸ | NOS1 known ✓ | P29475 | 9/20 | 0.94 |
| ▸ | NOS3 known ✓ | P29474 | 6/20 | 0.94 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.94 |
| ▸ | THPO | P40225 | 1/20 | 0.94 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | APEX1 | P27695 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | DDAH1 | O94760 | 5/20 | 0.59 |
| ▸ | BLM | P54132 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Thiocitrulline SCHEMBL940520 | 0.97 | NOS1 (1.00) | NOS2NOS1NOS3CYP2C19THPO | |
| S-Methyl-D-Thiocitrulline SCHEMBL9114394 | 0.97 | NOS1 (1.00) | NOS2NOS1NOS3CYP2C19THPO | |
| Thiocitrulline SCHEMBL4406617 | 0.95 | NOS1 (0.97) | NOS2NOS1NOS3CYP2C19THPO | |
| SCHEMBL14486327 | 0.85 | NOS1 (0.78) | NOS2NOS1NOS3CYP2C19THPO | |
| Arginine SCHEMBL31591103 | 0.83 | NOS2 (0.89) | NOS2NOS1NOS3CYP2C19THPO | |
| L-Nio SCHEMBL15944942 | 0.81 | NOS2 (1.00) | NOS2NOS1NOS3CYP2C19THPO | |
| SCHEMBL9115404 | 0.81 | NOS1 (0.71) | NOS2NOS1NOS3CYP2C19THPO | |
| SCHEMBL232480 | 0.81 | NOS1 (1.00) | NOS2NOS1NOS3CYP2C19THPO | |
| L-Nio SCHEMBL30728400 | 0.80 | NOS2 (0.96) | NOS2NOS1NOS3CYP2C19THPO | |
| L-Nio SCHEMBL30007317 | 0.80 | NOS2 (0.96) | NOS2NOS1NOS3CYP2C19THPO |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058243-B2 | Method for treating a brain cancer with ifenprodil | HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) | 2011-11-15 | — | — | US | disclosed |
| US-20090143279-A1 | Methods and compositions for treating metabolic disorders | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2009-06-04 | — | — | US | disclosed |
| US-20090076019-A1 | METHODS FOR TREATING NEUROLOGICAL DISORDERS OR DAMAGE | MOUNT SINAI HOSPITAL (CA) | 2009-03-19 | — | — | US | disclosed |
| US-7264921-B2 | No synthase assay particles and method | GE HEALTHCARE UK LIMITED (GB) | 2007-09-04 | — | — | US | disclosed |
| US-20060233709-A1 | Method for identifying novel treatments of inflammatory disease in the gut | DANIOLABS LIMITED (GB) | 2006-10-19 | — | — | US | disclosed |
| EP-1587364-A2 | METHOD FOR IDENTIFYING NOVEL TREATMENTS OF INFLAMMATORY DISEASE IN THE GUT | Daniolabs Limited (GB) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004066909-A2 | METHOD FOR IDENTIFYING NOVEL TREATMENTS OF INFLAMMATORY DISEASE IN THE GUT | DANIOLABS LIMITED (GB) | 2004-08-12 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090143279-A1 | Methods and compositions for treating metabolic disorders | PC, PCK2, CS | NOS2 907/4885NOS1 1036/4885NOS3 730/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.