Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | PREP | P48147 | 4/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8699079 | 0.76 | F2 (0.40) | CYP17A1PREPMAPTALOX15TSHR | |
| SCHEMBL8696892 | 0.75 | CYP19A1 (0.48) | CYP19A1SIGMAR1HTR1AOPRM1OPRL1 | |
| SCHEMBL8696333 | 0.75 | CYP17A1 (0.43) | CYP17A1OPRD1 | |
| SCHEMBL8698076 | 0.73 | CYP17A1 (0.44) | CYP19A1CYP17A1 | |
| SCHEMBL8698574 | 0.73 | CYP17A1 (0.41) | SIGMAR1CYP17A1 | |
| SCHEMBL8698467 | 0.72 | SIGMAR1 (0.41) | SIGMAR1CYP17A1 | |
| SCHEMBL8696866 | 0.72 | CYP17A1 (0.41) | CYP19A1CYP17A1TSHR | |
| Hydrochloric Acid SCHEMBL8698582 | 0.72 | CYP17A1 (0.41) | SIGMAR1CYP17A1 | |
| SCHEMBL8701383 | 0.72 | TBXAS1 (0.47) | CYP17A1KMT2A | |
| SCHEMBL10528740 | 0.72 | TBXAS1 (0.53) | CYP19A1SIGMAR1HTR1ACYP17A1OPRM1 |
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-5741800-A | ANTIINFLAMMATORY AGENT, ANTIALLERGENS | KNOLL AKTIENGESELLACHAFT (DE) | 1998-04-21 | — | — | US | disclosed |