Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11881287 | 0.85 | NOS1 (0.54) | CYP1A2POLBCYP3A4LMNATSHR | |
| SCHEMBL17115680 | 0.79 | KDM4E (0.44) | CYP1A2LMNATSHRKDM4ENOS3 | |
| SCHEMBL5657197 | 0.78 | NOTUM (0.48) | CYP3A4LMNAKDM4ETP53NOS3 | |
| SCHEMBL12585924 | 0.77 | NQO1 (0.46) | CYP1A2POLBCYP3A4TSHRTP53 | |
| SCHEMBL15709664 | 0.76 | NOS1 (0.44) | CYP1A2TSHRKDM4ENOS1NOS2 | |
| SCHEMBL11877316 | 0.76 | PLAU (0.49) | CYP1A2POLBCYP3A4LMNATSHR | |
| SCHEMBL14012773 | 0.75 | NOS1 (0.41) | CYP1A2POLBCYP3A4LMNATSHR | |
| SCHEMBL3641525 | 0.74 | NOS3 (0.43) | CYP3A4TSHRKDM4ETP53NOS3 | |
| SCHEMBL30041354 | 0.74 | KMT2A (0.38) | CYP1A2LMNATSHRKDM4ENOS3 | |
| SCHEMBL30697969 | 0.71 | NOS1 (0.36) | CYP1A2LMNATSHRKDM4ENOS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-3932641-A | THIOACETAMIDES | SMITHKLINE CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |
| US-3931162-A | N-Aminomethyl heterocyclic thioacetamides | SMITHKLINE CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |