Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11586182 | 0.80 | EGFR (0.36) | ALDH1A1TSHRTDP1SMN1; SMN2KDM4E | |
| SCHEMBL11587643 | 0.78 | PSEN1 (0.38) | ALDH1A1TSHRSMN1; SMN2KDM4ELMNA | |
| SCHEMBL11587446 | 0.78 | PDK2 (0.40) | KDM4EHTR2CMTNR1AMTNR1BLMNA | |
| SCHEMBL11585655 | 0.77 | AKR1C3 (0.36) | ALDH1A1TSHRKDM4EGAAHTT | |
| SCHEMBL11588154 | 0.76 | APOB (0.37) | ALDH1A1TSHRSMN1; SMN2KDM4ELMNA | |
| SCHEMBL11587639 | 0.76 | HPGD (0.35) | ALDH1A1SMN1; SMN2KDM4ELMNAKMT2A | |
| SCHEMBL11587156 | 0.73 | HTR2A (0.39) | DRD2HTR2CDRD1 | |
| SCHEMBL11588162 | 0.73 | PDK2 (0.40) | ALDH1A1SMN1; SMN2DRD2KDM4EGAA | |
| SCHEMBL11586311 | 0.72 | MC4R (0.34) | ALDH1A1SMN1; SMN2KDM4EGAAHTT | |
| SCHEMBL11587167 | 0.70 | L3MBTL1 (0.37) | TSHRTDP1SMN1; SMN2GAALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4070387-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1978-01-24 | — | — | US | disclosed |
| US-4020096-A | ANTIARRYTHMIA | MERCK & CO., INC. (US) | 1977-04-26 | — | — | US | disclosed |
| US-3950423-A | 10,11-Dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cycloheptene-5-methylamines | MERCK & CO., INC. (US) | 1976-04-13 | — | — | US | disclosed |