Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 7/20 | 0.40 |
| ▸ | PKM | P14618 | 6/20 | 0.40 |
| ▸ | PKLR | P30613 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 10/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8374902 | 0.81 | HTT (0.43) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL11157649 | 0.79 | HTT (0.42) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL16506289 | 0.79 | HTT (0.54) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL16506921 | 0.79 | HTT (0.43) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| Bromide SCHEMBL10919771 | 0.78 | HTT (0.49) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL11356063 | 0.76 | HTT (0.70) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL21863678 | 0.76 | HTT (0.51) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL21849002 | 0.76 | HTT (0.51) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL21894539 | 0.75 | KDM4E (0.55) | HTTALDH1A1KDM4EPOLBCYP1A2 | |
| SCHEMBL22275503 | 0.75 | HTT (0.50) | HTTALDH1A1KDM4EPOLBCYP1A2 |
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-2017214269-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2017-12-14 | — | — | WO | disclosed |
| EP-3036235-B1 | NEW BIS-AMIDO PYRIDINES | BOEHRINGER INGELHEIM INT (DE) | 2017-04-19 | — | — | EP | disclosed |