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 | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TMIGD3 | P0DMS9 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PRKCI | P41743 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11499208 | 0.80 | ALDH1A1 (0.55) | RAB9ANPC1MEN1KMT2ATMIGD3 | |
| SCHEMBL14875826 | 0.76 | CYP1A2 (0.42) | RAB9ANPC1TMIGD3ADORA1ALDH1A1 | |
| SCHEMBL11479201 | 0.73 | BRD4 (0.47) | RAB9ANPC1TMIGD3ADORA1ALDH1A1 | |
| SCHEMBL20513836 | 0.66 | CYP1A2 (0.58) | RAB9AKMT2ATMIGD3ADORA1ALDH1A1 | |
| Tiprinast SCHEMBL11476936 | 0.65 | HPGD (0.47) | RAB9AMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL13343687 | 0.63 | ALDH1A1 (0.37) | RAB9ANPC1MEN1KMT2ATMIGD3 | |
| SCHEMBL11480002 | 0.63 | ALDH1A1 (0.50) | RAB9AMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL18711843 | 0.62 | KDM4E (0.41) | RAB9ANPC1TMIGD3ADORA1ALDH1A1 | |
| SCHEMBL11737959 | 0.62 | ALDH1A1 (0.46) | RAB9AMEN1KMT2ATMIGD3ADORA1 | |
| SCHEMBL18351098 | 0.61 | KDM4E (0.60) | RAB9ANPC1MEN1KMT2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4159377-A | ANTIALLERGENS | MEAD JOHNSON & COMPANY (US) | 1979-06-26 | — | — | US | claimed |
| US-4234581-A | ANTIALLERGENS | MEAD JOHNSON & COMPANY (US) | 1980-11-18 | — | — | US | disclosed |
| US-4159377-A | ANTIALLERGENS | MEAD JOHNSON & COMPANY (US) | 1979-06-26 | — | — | US | disclosed |