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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 10/20 | 0.49 |
| ▸ | CA12 | O43570 | 9/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 10/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL61208 | 0.92 | TDP1 (0.60) | TDP1MEN1KMT2AGAAMAOA | |
| Hydrochloric Acid SCHEMBL28763000 | 0.90 | TDP1 (0.58) | TDP1MEN1KMT2AGAAMAOA | |
| Ammonia Solution, Strong SCHEMBL6807094 | 0.90 | TDP1 (0.58) | TDP1MEN1KMT2AGAAMAOA | |
| Bromide SCHEMBL28241790 | 0.90 | TDP1 (0.58) | TDP1MEN1KMT2AGAAMAOA | |
| Hydrochloric Acid SCHEMBL27646037 | 0.90 | TDP1 (0.58) | TDP1MEN1KMT2AGAAMAOA | |
| Hydrochloric Acid SCHEMBL5973455 | 0.88 | TDP1 (0.56) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL28210550 | 0.86 | TDP1 (0.70) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL7242914 | 0.83 | TDP1 (0.51) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL27926441 | 0.83 | TDP1 (0.51) | TDP1MEN1KMT2AGAAMAOA | |
| SCHEMBL178408 | 0.82 | TDP1 (0.70) | TDP1MEN1KMT2AGAAMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1202964-A1 | CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001012602-A1 | CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS | VERNALIS RESEARCH LIMITED (GB) | 2001-02-22 | — | — | WO | disclosed |