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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | TUBB4A known ✓ | P04350 | 1/20 | 0.33 |
| ▸ | TUBB known ✓ | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B known ✓ | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A known ✓ | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B known ✓ | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 known ✓ | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A known ✓ | Q13885 | 1/20 | 0.33 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 1/20 | 0.33 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 1/20 | 0.33 |
| ▸ | TUBA1A known ✓ | Q71U36 | 1/20 | 0.33 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 1/20 | 0.33 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 1/20 | 0.33 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 1/20 | 0.33 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 6/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL10348808 | 0.93 | KMT2A (0.40) | SLC2A1NPBWR1KMT2AMCHR1POLB | |
| SCHEMBL10348691 | 0.88 | SLC2A1 (0.39) | SLC2A1NPBWR1KMT2AMCHR1POLB | |
| SCHEMBL10488406 | 0.88 | HTR2A (0.43) | SLC2A1NPBWR1KMT2AMCHR1POLB | |
| SCHEMBL10484379 | 0.88 | SLC2A1 (0.49) | SLC2A1NPBWR1KMT2AMCHR1L3MBTL1 | |
| SCHEMBL10488324 | 0.87 | SLC2A1 (0.46) | SLC2A1NPBWR1KMT2AMCHR1POLB | |
| SCHEMBL10488232 | 0.87 | SLC2A1 (0.46) | SLC2A1NPBWR1KMT2AMCHR1POLB | |
| Hydrochloric Acid SCHEMBL10488372 | 0.86 | KMT2A (0.43) | SLC2A1NPBWR1KMT2AMCHR1POLB | |
| SCHEMBL10488350 | 0.85 | SLC2A1 (0.45) | SLC2A1NPBWR1KMT2AMCHR1CD274 | |
| SCHEMBL10349036 | 0.84 | SLC2A1 (0.46) | SLC2A1NPBWR1KMT2AMCHR1CD274 | |
| SCHEMBL9537779 | 0.83 | SLC2A1 (0.51) | SLC2A1NPBWR1KMT2AMCHR1CD274 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182609-B1 | POLYCYCLIC BIOCIDAL COMPOUNDS, THEIR SYNTHESIS, FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-05-09 | — | — | EP | disclosed |
| US-4882358-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-11-21 | — | — | US | disclosed |
| US-4827034-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-02 | — | — | US | disclosed |
| US-4818443-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-04-04 | — | — | US | disclosed |
| US-4814502-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-21 | — | — | US | disclosed |
| US-4810823-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4808753-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4791233-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791232-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| US-4791231-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0182609-A2 | Polycyclic biocidal compounds, their synthesis, formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-05-28 | — | — | EP | disclosed |