Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.69 |
| ▸ | TOP2A | P11388 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | KDM6B | O15054 | 1/20 | 0.53 |
| ▸ | KDM6A | O15550 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29504749 | 0.86 | TOP2A (0.62) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL171055 | 0.86 | TOP2A (0.62) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL12854009 | 0.84 | TOP2A (0.60) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL13490141 | 0.83 | PTGS2 (0.58) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL5051762 | 0.81 | TOP2A (0.59) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL5051758 | 0.79 | PTGS2 (0.50) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL21742667 | 0.78 | NPC1 (0.59) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL29181640 | 0.78 | TOP2A (0.72) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL30892595 | 0.78 | TOP2A (0.72) | PTGS2TOP2ANPC1RAB9AMAPT | |
| SCHEMBL504406 | 0.78 | PTGS2 (0.55) | PTGS2TOP2ANPC1RAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-4241111-A | — | — | None | — | — | JP | disclosed |
| JP-H04241111-A | ANISOTROPIC SPIN DOPE OF REDUCED VISCOSITY | E I DU PONT DE NEMOURS & CO | 1992-08-28 | — | — | JP | disclosed |