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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17746591 | 0.79 | CA14 (0.37) | CA14USP2TSHRALDH1A1CA12 | |
| Trifluoromethanesulfonic Acid SCHEMBL21751145 | 0.78 | F2 (0.34) | ALDH1A1 | |
| SCHEMBL1275350 | 0.77 | — | — | |
| SCHEMBL1832416 | 0.77 | CA14 (0.36) | CA14USP2TSHRALDH1A1CA12 | |
| Methyl Alcohol SCHEMBL3869122 | 0.75 | — | — | |
| Methoxymethane SCHEMBL1185067 | 0.75 | — | — | |
| SCHEMBL1153 | 0.75 | — | — | |
| SCHEMBL11615697 | 0.75 | — | — | |
| SCHEMBL5306546 | 0.75 | LMNA (0.31) | — | |
| Acetone SCHEMBL593191 | 0.73 | LMNA (0.43) | CA14TSHRALDH1A1SMN1; SMN2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0681584-B1 | CONDENSED HETEROCYCLIC GLUTAMIC ACID DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | AGOURON PHARMA (US) | 2001-06-06 | — | — | EP | disclosed |
| EP-1094066-A2 | Condensed heterocyclic glutamic acid derivatives as antiproliferative agents | AGOURON PHARMACEUTICALS, INC. (US) | 2001-04-25 | — | — | EP | disclosed |
| US-5723607-A | Compounds useful as antiproliferative agents and GARFT inhibitors | AGOURON PHARMACETICALS, INC. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5641774-A | GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE INHIBITORS; ANTITUMOR AGENTS | AGOURON PHARMACEUTICALS, INC. (US) | 1997-06-24 | — | — | US | disclosed |
| US-5641771-A | FUSED AMIDINE-CONTAINING NITROGEN HETEROCYCLE COMPOUNDS AS ANTITUMOR AGENTS | AGOURON PHARMACEUTICALS, INC. (US) | 1997-06-24 | — | — | US | disclosed |
| US-5639749-A | INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE; ANTITUMOR AGENTS | AGOURON PHARMACEUTICALS, INC. (US) | 1997-06-17 | — | — | US | disclosed |
| US-5639747-A | INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE; ANTITUMOR AGENTS | AGOURON PHARMACEUTICALS, INC. (US) | 1997-06-17 | — | — | US | disclosed |
| US-5625061-A | GRAFT=GLYCINAMIDE RIBONCLEOTIDE FORMYL TRANSFERASE | AGOURON PHARMACEUTICALS, INC. (US) | 1997-04-29 | — | — | US | disclosed |
| US-5610319-A | Compound useful as antiproliferative agents and GARFT inhibitors | AGOURON PHARMACEUTICALS, INC. (US) | 1997-03-11 | — | — | US | disclosed |
| US-5594139-A | FROM 5-HAL-2,6-DIAMINO-3H-4-OXOPYRIMIDINE | AGOURON PHARMACEUTICALS, INC. (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0681584-A1 | CONDENSED HETEROCYCLIC GLUTAMIC ACID DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | AGOURON PHARMACEUTICALS, INC. (US) | 1995-11-15 | — | — | EP | disclosed |
| WO-1994017076-A1 | CONDENSED HETEROCYCLIC GLUTAMIC ACID DERIVATIVES AS ANTIPROLIFERATIVE AGENTS | AGOURON PHARMACEUTICALS, INC. (US) | 1994-08-04 | — | — | WO | disclosed |