Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.33 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.33 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11861840 | 0.78 | TSHR (0.61) | TSHRKDM4EUSP2MAPTACHE | |
| SCHEMBL27851767 | 0.75 | TSHR (0.59) | TSHRKDM4EUSP2MAPTACHE | |
| SCHEMBL6530039 | 0.74 | ALDH1A1 (0.40) | TSHRKDM4EALDH1A1TDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL27833742 | 0.74 | TSHR (0.57) | TSHRKDM4EUSP2MAPTACHE | |
| SCHEMBL4418074 | 0.73 | TSHR (0.50) | TSHRKDM4EMAPTALDH1A1HPGD | |
| SCHEMBL8519528 | 0.71 | MAOA (0.32) | — | |
| SCHEMBL1871722 | 0.70 | PARP1 (0.35) | KDM4EMAPTALDH1A1HPGDKMT2A | |
| SCHEMBL2406500 | 0.70 | ALDH1A1 (0.39) | KDM4EMAPTALDH1A1HPGDKMT2A | |
| SCHEMBL30255446 | 0.70 | ALDH1A1 (0.39) | KDM4EMAPTALDH1A1HPGDKMT2A | |
| SCHEMBL1852029 | 0.68 | PARP1 (0.34) | KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090805-A | Tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 2000-07-18 | — | — | US | disclosed |
| US-5760054-A | BENIGN PROSTATIC HYPERTROPHY | MERCK & CO., INC. (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0755392-A4 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1997-05-02 | — | — | EP | disclosed |
| EP-0755392-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028397-A1 | ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-10-26 | — | — | WO | disclosed |