Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5506318 | 0.97 | CTSC (0.42) | TSHRALDH1A1LMNAAKR1C3CTSC | |
| SCHEMBL28679839 | 0.97 | CTSC (0.42) | TSHRALDH1A1LMNAAKR1C3CTSC | |
| SCHEMBL5166329 | 0.82 | CTSC (0.39) | TSHRALDH1A1LMNAAKR1C3CTSC | |
| SCHEMBL7143462 | 0.80 | GRIK1 (0.45) | TSHRALDH1A1CYP2D6 | |
| SCHEMBL1415100 | 0.80 | TSHR (0.47) | TSHRALDH1A1LMNACTSCPOLB | |
| SCHEMBL3930177 | 0.80 | TSHR (0.47) | TSHRALDH1A1LMNACTSCPOLB | |
| SCHEMBL6222266 | 0.79 | DPP4 (0.51) | — | |
| SCHEMBL24866537 | 0.78 | CYP2D6 (0.52) | TSHRLMNACTSCCYP2D6RAB9A | |
| SCHEMBL7978226 | 0.78 | CYP2D6 (0.52) | TSHRLMNACTSCCYP2D6RAB9A | |
| SCHEMBL21148 | 0.78 | CYP2D6 (0.52) | TSHRLMNACTSCCYP2D6RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005049568-A1 | A PROCESS FOR INDUSTRIALLY VIABLE PREPARATION OF (S,S,S) PHENYLMETHYL-2-AZABICYCLO-[3.3.0]-OCTANE-3-CARBOXYLATE TOSYLATE | BABU POTLURI RAMESH (IN) | 2005-06-02 | — | — | WO | claimed |
| WO-2005049568-A1 | A PROCESS FOR INDUSTRIALLY VIABLE PREPARATION OF (S,S,S) PHENYLMETHYL-2-AZABICYCLO-[3.3.0]-OCTANE-3-CARBOXYLATE TOSYLATE | BABU POTLURI RAMESH (IN) | 2005-06-02 | — | — | WO | disclosed |
| WO-2005049568-A1 | A PROCESS FOR INDUSTRIALLY VIABLE PREPARATION OF (S,S,S) PHENYLMETHYL-2-AZABICYCLO-[3.3.0]-OCTANE-3-CARBOXYLATE TOSYLATE | BABU POTLURI RAMESH (IN) | 2005-06-02 | — | — | WO | disclosed |