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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | PER2 | O15055 | 4/20 | 0.34 |
| ▸ | CRY1 | Q16526 | 4/20 | 0.34 |
| ▸ | CRY2 | Q49AN0 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8472661 | 0.93 | KDM4E (0.42) | KDM4EALDH1A1HTTHTR6PTGER4 | |
| SCHEMBL7615055 | 0.93 | KDM4E (0.36) | KDM4EALDH1A1HTTHTR6PTGER4 | |
| SCHEMBL8475130 | 0.89 | KDM4E (0.44) | KDM4EALDH1A1HTTHTR6PTGER4 | |
| Hydrochloric Acid SCHEMBL8475905 | 0.87 | UTS2R (0.39) | KDM4EALDH1A1HTTHTR6PTGER4 | |
| SCHEMBL8475477 | 0.87 | KDM4E (0.39) | KDM4EALDH1A1HTTHTR6PTGER4 | |
| SCHEMBL7615354 | 0.87 | DNM1 (0.41) | KDM4EALDH1A1HTR6PTGER4DNM1 | |
| SCHEMBL7614886 | 0.86 | RAB9A (0.41) | KDM4EALDH1A1HTTPTGER4TSHR | |
| SCHEMBL8474347 | 0.86 | RAB9A (0.41) | KDM4EALDH1A1HTTPTGER4TSHR | |
| SCHEMBL7618598 | 0.85 | HTR6 (0.38) | HTR6PTGER4DNM1TOP2APER2 | |
| SCHEMBL7617285 | 0.84 | CNR2 (0.46) | ALDH1A1HTR6CNR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741132-B1 | INDOLE DERIVATIVES | KYOWA HAKKO KOGYO KK (JP) | 2002-04-10 | — | — | EP | disclosed |
| US-5891902-A | OSTEOPOROSIS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0741132-A1 | INDOLE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-11-06 | — | — | EP | disclosed |