Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.70 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | RBP4 | P02753 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | IDH2 | P48735 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31024025 | 0.88 | ADRB1 (0.68) | ADRB1ACHEALDH1A1KDM4ERBP4 | |
| SCHEMBL230177 | 0.83 | ADRB1 (1.00) | ADRB1ACHEALDH1A1KDM4ERBP4 | |
| Hydrochloric Acid SCHEMBL17541669 | 0.81 | ADRB1 (0.97) | ADRB1ACHEALDH1A1KDM4ERBP4 | |
| SCHEMBL2005654 | 0.78 | ADRB1 (0.89) | ADRB1ALDH1A1KDM4ERBP4PKM | |
| SCHEMBL16652970 | 0.77 | TAAR1 (0.56) | ADRB1ACHEALDH1A1KDM4ECYP1A2 | |
| SCHEMBL11916019 | 0.77 | ADRB1 (0.72) | ADRB1ACHEALDH1A1KDM4ECYP1A2 | |
| SCHEMBL30929769 | 0.76 | IDH2 (0.44) | ADRB1ALDH1A1CYP1A2ADRB2HTR2C | |
| SCHEMBL26104931 | 0.76 | IDH2 (0.44) | ADRB1ALDH1A1CYP1A2ADRB2HTR2C | |
| SCHEMBL2225874 | 0.73 | KMT2A (0.57) | ADRB1ACHEALDH1A1KDM4EHTR2C | |
| Hydrochloric Acid SCHEMBL3272283 | 0.71 | ALDH1A1 (0.57) | ADRB1ACHEALDH1A1KDM4EHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015058129-A1 | COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT | BLUEPRINT MEDICINES CORPORATION (US) | 2015-04-23 | — | — | WO | disclosed |