Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ARG2 | P78540 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980741 | 1.00 | MAOB (0.61) | MAOBCA1CA2ARG2ALDH1A1 | |
| Phenol SCHEMBL28226446 | 0.90 | MAOB (0.50) | MAOBCA1CA2ARG2ALDH1A1 | |
| SCHEMBL25498094 | 0.85 | MAOB (0.54) | MAOBCA1CA2ARG2ALDH1A1 | |
| SCHEMBL14018835 | 0.78 | TAAR1 (0.48) | ALDH1A1TSHRAOC3TAAR1ATM | |
| SCHEMBL7017340 | 0.78 | KCNH2 (0.46) | ALDH1A1AOC3TAAR1KCNH2MAPT | |
| SCHEMBL1420358 | 0.78 | ESR1 (0.41) | CA2ALDH1A1TAAR1KDM4E | |
| SCHEMBL28254555 | 0.78 | TAAR1 (0.45) | ALDH1A1AOC3TAAR1ATM | |
| SCHEMBL6668054 | 0.78 | MAOB (0.56) | MAOBCA1CA2ARG2ALDH1A1 | |
| SCHEMBL155055 | 0.77 | MAOB (1.00) | MAOBCA1CA2ARG2ALDH1A1 | |
| SCHEMBL155054 | 0.77 | MAOB (1.00) | MAOBCA1CA2ARG2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014125426-A1 | TRISUBSTITUTED HETEROCYCLIC DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-08-21 | — | — | WO | disclosed |
| US-6174895-B1 | USEFUL IN TREATMENT OF RESPIRATORY, ALLERGIC, RHEUMATOID, BODY WEIGHT REGULATION, INFLAMMATORY AND CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ADULT RESPIRATORY DISEASES SYNDROME, FIBROSIS | PFIZER INC. | 2001-01-16 | — | — | US | disclosed |