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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 9/20 | 0.53 |
| ▸ | ADRA1D known ✓ | P25100 | 5/20 | 0.53 |
| ▸ | ADRA1A known ✓ | P35348 | 5/20 | 0.53 |
| ▸ | ADRA1B known ✓ | P35368 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8876472 | 0.97 | LMNA (0.57) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL8878645 | 0.88 | HTR1A (0.65) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL9567477 | 0.87 | HTR1A (0.64) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL8876391 | 0.86 | HTR1A (0.61) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL8876767 | 0.85 | HTR1A (0.61) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL8876520 | 0.84 | HTR1A (0.64) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL9567603 | 0.84 | HTR1A (0.63) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL8875810 | 0.80 | ALDH1A1 (0.60) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL8876626 | 0.80 | ALDH1A1 (0.59) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL8876602 | 0.79 | HTR1A (0.67) | ALDH1A1LMNAHTR1AADRA1DADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |
| US-5474994-A | Treating hypertension, urethral and lower urinary tract contractions | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-12-12 | — | — | US | disclosed |