Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | PDE3B known ✓ | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A known ✓ | Q14432 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 7/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11519732 | 0.97 | NPC1 (0.44) | NPC1RAB9AMAPTALDH1A1HPGD | |
| SCHEMBL19291 | 0.97 | NPC1 (0.44) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL27346450 | 0.95 | NPC1 (0.42) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Methane SCHEMBL11523432 | 0.95 | NPC1 (0.42) | NPC1RAB9AMAPTALDH1A1HPGD | |
| SCHEMBL6890133 | 0.95 | NPC1 (0.42) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Anthraquinone SCHEMBL11078992 | 0.91 | NPC1 (0.54) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Anthraquinone SCHEMBL2778406 | 0.91 | NPC1 (0.54) | NPC1RAB9AMAPTALDH1A1HPGD | |
| SCHEMBL7094873 | 0.90 | RAB9A (0.39) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Phosphoric Acid SCHEMBL9660626 | 0.89 | NPC1 (0.36) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Acetic Acid SCHEMBL28015410 | 0.89 | RAB9A (0.36) | NPC1RAB9AMAPTALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0766825-B1 | PREPARATION OF DERIVATIZED 10,10'-SUBSTITUTED-9,9'-BIACRIDINE LUMINESCENT MOLECULES AND SIGNAL SOLUTIONS | KATSILOMETES GEORGE W (US) | 2008-05-28 | — | — | EP | claimed |
| EP-0766825-B1 | PREPARATION OF DERIVATIZED 10,10'-SUBSTITUTED-9,9'-BIACRIDINE LUMINESCENT MOLECULES AND SIGNAL SOLUTIONS | KATSILOMETES GEORGE W (US) | 2008-05-28 | — | — | EP | disclosed |