Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CHKA | P35790 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL403303 | 0.89 | TP53 (0.68) | TP53TAAR1IDO1AGXTKCNH2 | |
| SCHEMBL2914914 | 0.89 | TP53 (0.68) | TP53TAAR1IDO1AGXTKCNH2 | |
| Water SCHEMBL9719785 | 0.86 | TP53 (0.65) | TP53TAAR1IDO1AGXTKCNH2 | |
| Ethylbenzene SCHEMBL4054027 | 0.86 | TP53 (0.74) | TP53IDO1TSHRRAB9AALDH1A1 | |
| Biphenyl SCHEMBL1147617 | 0.86 | ALDH1A1 (0.53) | TP53TAAR1IDO1AGXTTSHR | |
| Biphenyl SCHEMBL5898513 | 0.86 | ALDH1A1 (0.53) | TP53TAAR1IDO1AGXTTSHR | |
| Biphenyl SCHEMBL8192900 | 0.86 | ALDH1A1 (0.53) | TP53TAAR1IDO1AGXTTSHR | |
| Biphenyl SCHEMBL51202 | 0.86 | ALDH1A1 (0.53) | TP53TAAR1IDO1AGXTTSHR | |
| Ethyne SCHEMBL28573478 | 0.84 | TP53 (0.62) | TP53TAAR1IDO1AGXTKCNH2 | |
| Ethylbenzene SCHEMBL28787335 | 0.84 | TP53 (0.70) | TP53TSHRMAPTRAB9AALDH1A1 |
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-5078906-A | Organic lithium-potassium complexes for metallization reactions, preparation of aspirin substitutes, fenoprofen | MINE SAFETY APPLIANCES COMPANY (US) | 1992-01-07 | — | — | US | disclosed |
| EP-0379987-A2 | Process for the preparation of alpha-arylalkanoic acids | Mine Safety Appliances Company (US) | 1990-08-01 | — | — | EP | disclosed |
| US-4910337-A | Process for the preparation of α-arylalkanoic acids | MINE SAFETY APPLIANCES COMPANY (US) | 1990-03-20 | — | — | US | disclosed |