Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Diaminooctane. 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 | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | THRB | P10828 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | PLG | P00747 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.53 |
| ▸ | BLM | P54132 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | CA3 | P07451 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7118249 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Acetic Acid SCHEMBL8604919 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Acetic Acid SCHEMBL5382762 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Acetic Acid SCHEMBL6288245 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Acetic Acid SCHEMBL965975 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Diaminooctane SCHEMBL11308186 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Acetic Acid SCHEMBL356900 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Acetic Acid SCHEMBL7122573 | 1.00 | PAOX (0.65) | PAOXLMNAKMT2ATHRBMEN1 | |
| Acetic Acid SCHEMBL11462305 | 0.97 | PAOX (0.62) | PAOXLMNAKMT2ATHRBMEN1 | |
| Putrescine SCHEMBL2761088 | 0.97 | PAOX (0.60) | PAOXLMNAKMT2ATHRBMEN1 |
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-5397796-A | Inhibitors of platelet aggregation, metastasis of carcinoma cells and osteoclast binding to the bone surfaces | CASSELLA AG (DE) | 1995-03-14 | — | — | US | disclosed |