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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | S1PR2 | O95136 | 6/20 | 0.55 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.55 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.55 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.55 |
| ▸ | LAP3 | P28838 | 2/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.44 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.44 |
| ▸ | RRM1 | P23921 | 1/20 | 0.42 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28625503 | 0.94 | TP53 (0.64) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| Sulfuric Acid SCHEMBL16611550 | 0.90 | TP53 (0.69) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| Sulfuric Acid SCHEMBL28354719 | 0.90 | TP53 (0.69) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| Sulfuric Acid SCHEMBL27829023 | 0.90 | TP53 (0.69) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| Sulfuric Acid SCHEMBL20515499 | 0.90 | TP53 (0.69) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| Sulfuric Acid SCHEMBL31633316 | 0.88 | TP53 (0.67) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL8504505 | 0.86 | TP53 (0.59) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL10953504 | 0.85 | ALDH1A1 (0.59) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL14364607 | 0.85 | ALDH1A1 (0.59) | TP53ALDH1A1S1PR2S1PR1S1PR3 | |
| SCHEMBL3236786 | 0.85 | ALDH1A1 (0.59) | TP53ALDH1A1S1PR2S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112839715-A | Method for preparing active compound for inhibiting SHP2 | 诺华股份有限公司 | 2021-05-25 | — | — | CN | claimed |
| CN-112839715-A | Method for preparing active compound for inhibiting SHP2 | 诺华股份有限公司 | 2021-05-25 | — | — | CN | disclosed |