Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | CAMK1D | Q8IU85 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.30 |
| ▸ | G6PD | P11413 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11603418 | 0.87 | RET (0.41) | RETMAPK14CAMK1DHDAC6EPHX2 | |
| SCHEMBL11604019 | 0.81 | RET (0.40) | RETMAPK14CAMK1DHDAC6EPHX2 | |
| SCHEMBL16442934 | 0.78 | ALDH1A1 (0.35) | RETMAPK14CAMK1DHDAC6TSHR | |
| SCHEMBL16443023 | 0.77 | RET (0.35) | RETMAPK14CAMK1DHDAC6EPHX2 | |
| SCHEMBL9793694 | 0.77 | RET (0.36) | RETMAPK14CAMK1DHDAC6TBXA2R | |
| SCHEMBL9793697 | 0.77 | RET (0.36) | RETMAPK14CAMK1DHDAC6TBXA2R | |
| SCHEMBL11605095 | 0.77 | RET (0.39) | RETMAPK14CAMK1DHDAC6TBXA2R | |
| SCHEMBL16443233 | 0.76 | RET (0.33) | RETMAPK14CAMK1DHDAC6 | |
| SCHEMBL10489493 | 0.76 | TDP1 (0.40) | — | |
| SCHEMBL6202519 | 0.74 | RET (0.35) | RETMAPK14CAMK1DHDAC6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4091020-A | CONDENSATION, CATALYTIC DECARBOXYLATION | MERCK & CO., INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4065497-A | MICROBIOCIDES, ALGICIDES | MERCK & CO., INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-4058625-A | Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines | MERCK & CO., INC. (US) | 1977-11-15 | — | — | US | disclosed |
| US-4035174-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1977-07-12 | — | — | US | disclosed |
| US-4033748-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1977-07-05 | — | — | US | disclosed |
| US-4003934-A | ANTIMICROBIAL AGENTS, ALGAE INHIBITORS | MERCK & CO., INC. (US) | 1977-01-18 | — | — | US | disclosed |