Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.62 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | MMP16 | P51512 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 3/20 | 0.43 |
| ▸ | CHUK | O15111 | 2/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18921578 | 0.85 | MKNK1 (0.48) | BCAT2 | |
| SCHEMBL8997265 | 0.84 | BCAT2 (0.47) | BCAT2IKBKBCHUKFGFR1SRC | |
| SCHEMBL31463127 | 0.82 | AKR1B1 (0.56) | AKR1B1CASP1MEN1KMT2AALDH1A1 | |
| SCHEMBL364480 | 0.79 | HTR6 (0.55) | BCAT2MMP1MMP2MMP9MMP8 | |
| SCHEMBL132986 | 0.78 | BCAT2 (1.00) | BCAT2KEAP1NFE2L2NPC1RAB9A | |
| SCHEMBL29427545 | 0.78 | BCAT2 (1.00) | BCAT2KEAP1NFE2L2NPC1RAB9A | |
| Dimethyl Sulfone SCHEMBL28171504 | 0.77 | BCAT2 (0.81) | BCAT2KEAP1NFE2L2NPC1RAB9A | |
| SCHEMBL28355265 | 0.76 | BCAT2 (0.96) | BCAT2KEAP1NFE2L2NPC1RAB9A | |
| Urea SCHEMBL28572437 | 0.76 | BCAT2 (0.96) | BCAT2KEAP1NFE2L2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL1785690 | 0.76 | BCAT2 (0.96) | BCAT2KEAP1NFE2L2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5512681-A | HORMONE INHIBITORS FOR TREATMENT OF HYPERTENSION OR CONGESTIVE HEART FAILURE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-30 | — | — | US | claimed |
| US-5512681-A | HORMONE INHIBITORS FOR TREATMENT OF HYPERTENSION OR CONGESTIVE HEART FAILURE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-04-30 | — | — | US | disclosed |