Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7815866 | 0.93 | AHR (0.43) | AHRCYP1B1IDO1NPC1RAB9A | |
| SCHEMBL11516915 | 0.83 | CYP3A4 (0.53) | AHRNPC1RAB9AMAPTKDM4E | |
| SCHEMBL11407540 | 0.83 | TSHR (0.41) | AHRNPC1RAB9AMAPTKDM4E | |
| SCHEMBL4831885 | 0.83 | PTGS2 (0.42) | NPC1RAB9AADORA1 | |
| SCHEMBL5326419 | 0.79 | CYP11B2 (0.44) | IDO1TDP1 | |
| SCHEMBL436327 | 0.77 | CYP1A2 (0.48) | AHRNPC1RAB9ANOTUMMAPT | |
| SCHEMBL2115007 | 0.76 | NPC1 (0.42) | IDO1NPC1RAB9ANOTUMTSHR | |
| SCHEMBL9804988 | 0.76 | AHR (0.50) | AHRCYP1B1NPC1RAB9ANOTUM | |
| SCHEMBL8590691 | 0.76 | CYP2A6 (0.50) | CYP1B1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL8589041 | 0.75 | CYP1A2 (0.46) | CYP1B1MEN1KMT2ATP53ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109776537-A | Purinedione as WNT pathway modulators | 新加坡科技研究局 | 2019-05-21 | — | — | CN | disclosed |
| US-6476075-B1 | Use of substituted N, N-bis-benzyl aminoalcohol compounds inhibiting cholesteryl ester transfer protein activity | G.D. SEARLE & CO. | 2002-11-05 | — | — | US | disclosed |
| US-6323240-B1 | HALOGENATED DERIVATIVES AS ENZYME INHIBITORS | PHARMACIA & UPJOHN S.P.A. (IT) | 2001-11-27 | — | — | US | disclosed |
| EP-0858443-A1 | 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.p.A. (IT) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997017317-A1 | 4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-15 | — | — | WO | disclosed |