Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 2/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1637687 | 0.89 | NQO1 (0.44) | ESR1AHRNQO1HTR2AHTR2C | |
| SCHEMBL19724 | 0.86 | ALDH1A1 (0.56) | ESR1ALDH1A1AHRABL1ABCB1 | |
| SCHEMBL1637765 | 0.86 | TUBB4A (0.37) | ESR1ALDH1A1AHRTUBB4ATUBB | |
| SCHEMBL9317421 | 0.84 | TUBB4A (0.40) | ALDH1A1AHRNQO1TUBB4ATUBB | |
| SCHEMBL28421814 | 0.83 | ALDH1A1 (0.39) | ALDH1A1ABL1ABCB1BCRCYP1A1 | |
| SCHEMBL146623 | 0.81 | NQO1 (0.50) | ESR1ALDH1A1AHRNQO1TUBB4A | |
| SCHEMBL27271200 | 0.81 | ALDH1A1 (0.50) | ESR1ALDH1A1AHRABL1ABCB1 | |
| SCHEMBL27471058 | 0.81 | ALDH1A1 (0.40) | ESR1ALDH1A1AHRTUBB4ATUBB | |
| SCHEMBL9682934 | 0.77 | TUBB4A (0.42) | ALDH1A1AHRTUBB4ATUBBTUBA3C | |
| SCHEMBL491166 | 0.75 | ALDH1A1 (0.48) | ESR1ALDH1A1AHRABL1ABCB1 |
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-5795905-A | 3-AMINO-5-PHENYL-1,2,4-TRIAZOLES | NEUROCRINE BIOSCIENCES, INC. (US) | 1998-08-18 | — | — | US | claimed |
| EP-0846108-A1 | AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 1998-06-10 | — | — | EP | claimed |
| WO-1996039400-A1 | AMINO-SUBSTITUTED THIADIAZOLES, PYRIMIDINES, TRIAZINES OR TRIAZOLES USEFUL AS CTF RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 1996-12-12 | — | — | WO | claimed |