Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CRHBP | P24387 | 2/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | 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 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NR1D1 | P20393 | 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 | |
|---|---|---|---|---|
| SCHEMBL8421520 | 0.91 | KCNH2 (0.59) | ALDH1A1LMNAKCNH2TSHRCRHBP | |
| SCHEMBL8664094 | 0.90 | KCNH2 (0.60) | ALDH1A1LMNAKCNH2TSHRCRHBP | |
| SCHEMBL4935242 | 0.88 | ALDH1A1 (0.61) | ALDH1A1LMNAKCNH2TSHRPOLB | |
| SCHEMBL3148017 | 0.85 | ALDH1A1 (0.76) | ALDH1A1LMNATSHRPOLBCRHBP | |
| SCHEMBL13014185 | 0.80 | NR1D1 (0.66) | ALDH1A1LMNAKCNH2TSHRPOLB | |
| SCHEMBL15524258 | 0.80 | CRHBP (0.59) | ALDH1A1LMNATSHRPOLBCRHBP | |
| SCHEMBL19491671 | 0.80 | ALDH1A1 (0.65) | ALDH1A1LMNAKCNH2TSHRPOLB | |
| SCHEMBL3132717 | 0.79 | HTT (0.53) | ALDH1A1LMNATSHRGAAMAPT | |
| SCHEMBL463691 | 0.79 | KCNH2 (0.49) | KCNH2POLBSMN1; SMN2SIGMAR1 | |
| SCHEMBL14129565 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNAKCNH2TSHRPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115094-B2 | Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using | THE UNITED STATES OF AMERICA, NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS) (US) | 2015-08-25 | — | — | US | disclosed |