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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.77 |
| ▸ | TP53 | P04637 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | MAPT | P10636 | 2/20 | 0.77 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.77 |
| ▸ | TSHR | P16473 | 2/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | RECQL | P46063 | 2/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.77 |
| ▸ | HIPK1 | Q86Z02 | 2/20 | 0.77 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.77 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.77 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | GSK3B | P49841 | 7/20 | 0.69 |
| ▸ | PRKCB | P05771 | 3/20 | 0.69 |
| ▸ | PRKCA | P17252 | 3/20 | 0.69 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Bisindolylmaleimide Ix SCHEMBL29381390 | 0.87 | MEN1 (1.00) | MEN1TP53CYP3A4MAPTALOX15 | |
| Bisindolylmaleimide Ix SCHEMBL2491726 | 0.87 | MEN1 (1.00) | MEN1TP53CYP3A4MAPTALOX15 | |
| SCHEMBL8160687 | 0.85 | MEN1 (0.56) | MEN1TP53CYP3A4MAPTALOX15 | |
| SCHEMBL8166772 | 0.85 | MEN1 (0.95) | MEN1TP53CYP3A4MAPTALOX15 | |
| SCHEMBL8161675 | 0.84 | MEN1 (0.93) | MEN1TP53CYP3A4MAPTALOX15 | |
| Bisindolylmaleimide Ix SCHEMBL29370657 | 0.82 | PRKCA (1.00) | MEN1TP53CYP3A4MAPTALOX15 | |
| Bisindolylmaleimide Ix SCHEMBL1567017 | 0.82 | PRKCA (1.00) | MEN1TP53CYP3A4MAPTALOX15 | |
| SCHEMBL8154377 | 0.82 | MEN1 (0.89) | MEN1TP53CYP3A4MAPTALOX15 | |
| SCHEMBL8167454 | 0.80 | GSK3B (0.70) | GSK3BPRKCBPRKCAPRKCEQPCT | |
| SCHEMBL8154930 | 0.80 | GSK3B (0.68) | GSK3BPRKCBPRKCAPRKCHPRKCQ |
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-RE36736-E | Substituted pyrroles | HOFFMAN-LA ROCHE INC. (US) | 2000-06-13 | — | — | US | disclosed |
| US-5057614-A | Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders | HOFFMANN-LA ROCHE INC. (US) | 1991-10-15 | — | — | US | disclosed |