Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8097032 | 0.90 | TP53 (0.50) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL4953933 | 0.89 | TP53 (0.48) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL3822095 | 0.87 | GPR52 (0.51) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL16494233 | 0.84 | TP53 (0.44) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL8555936 | 0.84 | TDP1 (0.44) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL28533157 | 0.81 | MAOB (0.48) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL28533155 | 0.81 | MAOB (0.48) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL7377625 | 0.80 | VNN1 (0.45) | TP53TDP1SMN1; SMN2ALDH1A1 | |
| Allylbenzene SCHEMBL943452 | 0.79 | TP53 (0.67) | TP53TDP1NPC1CASP3SENP8 | |
| SCHEMBL69726 | 0.79 | MAOB (0.57) | TP53MAOBMAOASMN1; SMN2TAAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6030975-A | ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | US | disclosed |
| US-5840722-A | ADMINISTERING TO INHIBIT ENDOTHELIN RECEPTORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-24 | — | — | US | disclosed |
| US-5703017-A | HERBICIDES, PLANT GROWTH REGULATORS | BASF AKTIENGESELLSCHAFT (DE) | 1997-12-30 | — | — | US | disclosed |
| CN-1121711-A | 3-(hetero)aryl carboxylic acid derivatives, methods of preparing them and intermediates used in their preparation | BASF AG (DE) | 1996-05-01 | — | — | CN | disclosed |