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 | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 4/20 | 0.73 |
| ▸ | MMP2 | P08253 | 13/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 12/20 | 0.37 |
| ▸ | MMP7 | P09237 | 11/20 | 0.37 |
| ▸ | MMP1 | P03956 | 9/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6944956 | 0.92 | ADAM17 (0.70) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL6940096 | 0.86 | ADAM17 (0.82) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL6850303 | 0.86 | ADAM17 (0.82) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL6940003 | 0.85 | ADAM17 (0.70) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL13274076 | 0.84 | ADAM17 (1.00) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL6942514 | 0.84 | ADAM17 (0.85) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL6813847 | 0.84 | ADAM17 (1.00) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL4481744 | 0.84 | ADAM17 (1.00) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL6813844 | 0.84 | ADAM17 (1.00) | ADAM17MMP2MMP9MMP3MMP7 | |
| SCHEMBL3500092 | 0.84 | ADAM17 (1.00) | ADAM17MMP2MMP9MMP3MMP7 |
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-0993442-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-6235787-B1 | ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS | HOFFMANN-LA ROCHE INC. | 2001-05-22 | — | — | US | disclosed |