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 | |
|---|---|---|---|---|
| ▸ | TUBB1 known ✓ | Q9H4B7 | 3/20 | 0.54 |
| ▸ | TUBB4A known ✓ | P04350 | 2/20 | 0.54 |
| ▸ | TUBB known ✓ | P07437 | 2/20 | 0.54 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 2/20 | 0.54 |
| ▸ | TUBA1B known ✓ | P68363 | 2/20 | 0.54 |
| ▸ | TUBA4A known ✓ | P68366 | 2/20 | 0.54 |
| ▸ | TUBB4B known ✓ | P68371 | 2/20 | 0.54 |
| ▸ | TUBB3 known ✓ | Q13509 | 2/20 | 0.54 |
| ▸ | TUBB2A known ✓ | Q13885 | 2/20 | 0.54 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 2/20 | 0.54 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 2/20 | 0.54 |
| ▸ | TUBA1A known ✓ | Q71U36 | 2/20 | 0.54 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 2/20 | 0.54 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 2/20 | 0.54 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 2/20 | 0.54 |
| ▸ | HIF1AN | Q9NWT6 | 9/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL998575 | 1.00 | TUBB1 (0.54) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL997056 | 0.96 | TUBB1 (0.58) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL997051 | 0.96 | TUBB1 (0.58) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL998658 | 0.90 | HIF1AN (0.51) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL998657 | 0.90 | HIF1AN (0.51) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL996838 | 0.89 | TUBB4A (0.61) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL996840 | 0.89 | TUBB4A (0.61) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL996636 | 0.86 | TUBB4A (0.70) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL996634 | 0.86 | TUBB4A (0.70) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL997045 | 0.85 | TUBB4A (0.57) | TUBB1TUBB4ATUBBTUBA3CTUBA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011009826-A2 | NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY | ADAMED Sp.z o.o. (PL) | 2011-01-27 | — | — | WO | disclosed |