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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 5/20 | 0.56 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9466230 | 0.94 | SLC2A1 (0.47) | SLC2A1HPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL9465883 | 0.89 | SLC2A1 (0.46) | SLC2A1NQO2CA2HPGDMEN1 | |
| SCHEMBL10548243 | 0.87 | SLC2A1 (0.47) | SLC2A1HPGDMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL10547602 | 0.86 | SLC2A1 (0.46) | SLC2A1HPGDMEN1KMT2AALDH1A1 | |
| Crisnatol SCHEMBL3883 | 0.85 | SLC2A1 (0.61) | SLC2A1NQO2HPGDALDH1A1HCRTR1 | |
| SCHEMBL9466254 | 0.85 | SLC2A1 (0.47) | SLC2A1CA2HPGDMEN1KMT2A | |
| SCHEMBL10682413 | 0.84 | SLC2A1 (0.54) | SLC2A1NQO2CA2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9465780 | 0.83 | SLC2A1 (0.46) | SLC2A1CA2HPGDMEN1KMT2A | |
| SCHEMBL10349448 | 0.83 | SLC2A1 (0.51) | SLC2A1NQO2HPGDKMT2AALDH1A1 | |
| SCHEMBL10561762 | 0.83 | SLC2A1 (0.52) | SLC2A1NQO2CA2HPGDMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5241107-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1993-08-31 | — | — | US | claimed |
| US-5241107-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1993-08-31 | — | — | US | disclosed |