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 | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 6/20 | 0.33 |
| ▸ | CA9 | Q16790 | 5/20 | 0.33 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL8318829 | 1.00 | ALDH1A1 (0.36) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL8069550 | 0.90 | HSP90AA1 (0.34) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL8078870 | 0.90 | HSP90AA1 (0.34) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8321313 | 0.89 | PPARA (0.34) | ALDH1A1KDM4EMAPTPOLBCA2 | |
| SCHEMBL5609606 | 0.89 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8323353 | 0.89 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL248025 | 0.89 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL6140643 | 0.88 | ALDH1A1 (0.37) | ALDH1A1ALOX15HSD17B10KDM4EHPGD | |
| SCHEMBL6140116 | 0.88 | ALDH1A1 (0.42) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL6140681 | 0.88 | ALDH1A1 (0.42) | ALDH1A1ALOX15TSHRHSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5880169-A | HAVING HIGH RESOLUTION FOR FINE PATTERNING | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-03-09 | — | — | US | disclosed |