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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 3/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5809042 | 0.79 | NR4A2 (0.39) | NR4A2AKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL5809036 | 0.76 | NR4A2 (0.37) | NR4A2AKR1C3AKR1C1MEN1KMT2A | |
| Water SCHEMBL5055130 | 0.69 | NR4A2 (0.37) | NR4A2AKR1C3AKR1C1MEN1KMT2A | |
| SCHEMBL6674814 | 0.65 | AKR1C3 (0.62) | AKR1C3AKR1C1MEN1KMT2APLK1 | |
| SCHEMBL31601057 | 0.63 | NR4A2 (0.69) | NR4A2AKR1C3AKR1C1LMNACA12 | |
| SCHEMBL11553625 | 0.63 | NR4A2 (0.69) | NR4A2AKR1C3AKR1C1LMNACA12 | |
| SCHEMBL15557277 | 0.62 | AKR1C3 (0.58) | AKR1C3AKR1C1MEN1KMT2APLK1 | |
| SCHEMBL20538722 | 0.61 | KDM4E (0.37) | NR4A2AKR1C3AKR1C1PLK1RORC | |
| SCHEMBL15174383 | 0.61 | RORC (0.53) | NR4A2RORCFABP4KDM4E | |
| SCHEMBL9263144 | 0.61 | NR4A2 (0.60) | NR4A2LMNACA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006023702-A2 | METHOD FOR TREATING SLEEP RELATED BREATHING DISORDERS WITH SETIPTILINE | CYPRESS BIOSCIENCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |