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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768098 | 0.82 | ALPG (0.51) | ALPLALPGCA12CA1CA2 | |
| SCHEMBL31419971 | 0.82 | ALPG (0.51) | ALPLALPGCA12CA1CA2 | |
| SCHEMBL11268050 | 0.81 | THRA (0.42) | SLC9A1VCAM1SMN1; SMN2THRATHRB | |
| Hydrochloric Acid SCHEMBL31419992 | 0.80 | ALPG (0.50) | ALPLALPGCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL10897263 | 0.80 | ALPG (0.50) | ALPLALPGCA12CA1CA2 | |
| SCHEMBL11267196 | 0.80 | ALPL (0.36) | ALPLALPGPMP22ADRB3LMNA | |
| Hydrochloric Acid SCHEMBL11265185 | 0.80 | SMN1; SMN2 (0.47) | KMT2ASMN1; SMN2MEN1THRATHRB | |
| SCHEMBL11281249 | 0.77 | ALDH1A1 (0.38) | ALPLALPGLMNAHIF1AADRB2 | |
| SCHEMBL26048694 | 0.77 | CSNK2A1 (0.45) | LMNAHIF1AHPGDHSD17B10CA12 | |
| SCHEMBL6698305 | 0.77 | PKM (0.57) | ALPLALPGPMP22HIF1AHPGD |
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-4327224-A | ADRENERGIC BLOCKING AGENTS | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4124722-A | USING AN A-((ALKYLAMINO)ALKYL)-4-HYDROXY-3-(ALKYL-THIO, -SULFINYL -SULFONYL)-BENZENEMETHANOL | STERLING DRUG INC. (US) | 1978-11-07 | — | — | US | disclosed |