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 | 0.37 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.45 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.45 |
| ▸ | NGFR | P08138 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9218810 | 0.96 | FTO (0.48) | FTONTRK1NGFRCA12CA1 | |
| SCHEMBL9040517 | 0.92 | MAPT (0.39) | FTONTRK1NGFRCA12CA1 | |
| SCHEMBL9080330 | 0.92 | MAPT (0.39) | FTONTRK1NGFRCA12CA1 | |
| SCHEMBL9079008 | 0.90 | FTO (0.45) | FTONTRK1NGFRCA12CA1 | |
| Bisnafide SCHEMBL9135842 | 0.88 | FTO (0.56) | FTONTRK1NGFRCA12CA1 | |
| Bisnafide SCHEMBL9136352 | 0.88 | FTO (0.56) | FTONTRK1NGFRCA12CA1 | |
| Bisnafide SCHEMBL9401929 | 0.88 | FTO (0.56) | FTONTRK1NGFRCA12CA1 | |
| Bisnafide SCHEMBL9136711 | 0.88 | FTO (0.56) | FTONTRK1NGFRCA12CA1 | |
| Bisnafide SCHEMBL3726 | 0.88 | FTO (0.56) | FTONTRK1NGFRCA12CA1 | |
| SCHEMBL9038069 | 0.88 | FTO (0.44) | FTONTRK1NGFRCA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | claimed |
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |