Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | DRD1 | P21728 | 1/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11127560 | 1.00 | CYP1A2 (0.64) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Water SCHEMBL8858823 | 0.99 | CYP1A2 (0.63) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL30673515 | 0.81 | CYP1A2 (0.67) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL14916801 | 0.81 | CYP1A2 (0.67) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL18908562 | 0.79 | CYP1A2 (0.71) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10749123 | 0.79 | TDP1 (0.67) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL12648664 | 0.79 | TDP1 (0.67) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL19870486 | 0.79 | CYP1A2 (0.71) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| SCHEMBL10508019 | 0.79 | CYP1A2 (0.67) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL4912 | 0.78 | CYP1A2 (1.00) | CYP1A2ADRB2ADRB1CYP3A4HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107106570-A | Aqueous composition | 兴和株式会社 | 2017-08-29 | — | — | CN | disclosed |
| US-4772616-A | DOMPERIDONE | THE TEXAS A & M UNIVERSITY SYSTEM (US) | 1988-09-20 | — | — | US | disclosed |