Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL747464 | 0.84 | KMT2A (0.42) | KMT2ACALM1CAMKK2ALDH1A1MEN1 | |
| SCHEMBL1119877 | 0.84 | AOC3 (0.40) | UTS2RAOC3TAAR1 | |
| SCHEMBL4740860 | 0.78 | ABCB11 (0.47) | KMT2AABCB11MEN1 | |
| SCHEMBL12633238 | 0.78 | KMT2A (0.55) | KMT2ACALM1CAMKK2ALDH1A1MEN1 | |
| SCHEMBL1119907 | 0.78 | KMT2A (0.55) | KMT2ACALM1CAMKK2ALDH1A1MEN1 | |
| SCHEMBL13566617 | 0.77 | KMT2A (0.53) | KMT2ACALM1CAMKK2ABCB11ALDH1A1 | |
| SCHEMBL27812151 | 0.75 | KMT2A (0.52) | KMT2AALDH1A1MEN1KDM4EMTNR1A | |
| SCHEMBL5571032 | 0.74 | SLC6A2 (0.47) | KMT2AAOC3 | |
| SCHEMBL27812152 | 0.73 | KMT2A (0.49) | KMT2ACALM1CAMKK2ALDH1A1MEN1 | |
| SCHEMBL1956804 | 0.72 | IDO1 (0.48) | KMT2AMTNR1AMTNR1BSMN1; SMN2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280956-A2 | PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |
| WO-2009149259-A2 | PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-10 | — | — | WO | disclosed |