Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL8021482 | 0.83 | SIRT2 (0.46) | PTGS2SIRT2SIRT1ALDH1A1MCHR1 | |
| SCHEMBL3741438 | 0.81 | PTGS2 (0.53) | PTGS2SIRT2SIRT1ALDH1A1MCHR1 | |
| SCHEMBL20776032 | 0.79 | NPC1 (0.54) | PTGS2SIRT2SIRT1ALDH1A1AOC3 | |
| SCHEMBL20776091 | 0.78 | SMN1; SMN2 (0.49) | SIRT2SIRT1ALDH1A1DHFRESR1 | |
| SCHEMBL8022202 | 0.78 | PTGS2 (0.69) | PTGS2ALDH1A1AOC3KCNH2ESR1 | |
| SCHEMBL23945235 | 0.77 | PTGS2 (0.51) | PTGS2SIRT2SIRT1ALDH1A1AOC3 | |
| SCHEMBL1102405 | 0.77 | ESR1 (0.58) | PTGS2SIRT2SIRT1ALDH1A1DHFR | |
| SCHEMBL8023395 | 0.76 | SIRT2 (0.61) | PTGS2SIRT2SIRT1ALDH1A1PTGER4 | |
| SCHEMBL8027341 | 0.75 | RAB9A (0.60) | PTGS2ALDH1A1AOC3KCNH2ESR1 | |
| SCHEMBL13486686 | 0.75 | SIRT2 (0.62) | SIRT2SIRT1ALDH1A1ESR1ESR2 |
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-6030992-A | ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES | ELI LILLY AND COMPANY (US) | 2000-02-29 | — | — | US | disclosed |
| US-6025379-A | A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, | ELI LILLY AND COMPANY (US) | 2000-02-15 | — | — | US | disclosed |
| US-5552426-A | NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES | ELI LILLY AND COMPANY (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0694535-A1 | Non-peptidyl tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-01-31 | — | — | EP | disclosed |