Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of Tuaminoheptane. 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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 1.00 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.48 |
| ▸ | LAP3 | P28838 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Tuaminoheptane SCHEMBL23928820 | 1.00 | TP53 (1.00) | TP53OPRM1SPHK1LAP3ALDH1A1 | |
| SCHEMBL27962846 | 0.90 | TP53 (0.81) | TP53OPRM1SPHK1LAP3S1PR2 | |
| SCHEMBL6902067 | 0.86 | TP53 (0.75) | TP53OPRM1SPHK1LAP3S1PR2 | |
| Sulfuric Acid SCHEMBL18113972 | 0.85 | TP53 (0.74) | TP53OPRM1ALDH1A1TDP1 | |
| Tuaminoheptane SCHEMBL354313 | 0.85 | — | — | |
| Tuaminoheptane SCHEMBL37510 | 0.85 | — | — | |
| Tuaminoheptane SCHEMBL353519 | 0.85 | — | — | |
| SCHEMBL6902457 | 0.85 | TP53 (0.72) | TP53OPRM1SPHK1LAP3CA1 | |
| SCHEMBL6901086 | 0.85 | TP53 (0.72) | TP53OPRM1SPHK1LAP3CA1 | |
| SCHEMBL6900925 | 0.85 | TP53 (0.72) | TP53OPRM1SPHK1LAP3CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210330611-A1 | THERAPY FOR NEUROLOGICAL DISEASES/DISORDERS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-10-28 | — | — | US | disclosed |
| US-10161929-B2 | Theranostics platform and methods of use | Sanford Burnham Prebys Medical Discovery (US) | 2018-12-25 | — | — | US | disclosed |
| US-20180042899-A1 | Method of Treating Transplant Rejection and Autoimmune Diseases | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2018-02-15 | — | — | US | disclosed |
| US-20170252487-A1 | Insulin-Mimetic Composite for Bone Repair | NEW JERSEY INSTITUTE OF TECHNOLOGY (US) | 2017-09-07 | — | — | US | disclosed |
| US-20140050694-A1 | Method of Treating Transplant Rejection and Autoimmune Diseases | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-02-20 | — | — | US | disclosed |