Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4628502 | 0.83 | NPSR1 (0.56) | KMT2ATSHRHPGDLMNAGAA | |
| SCHEMBL1900364 | 0.81 | KMT2A (0.54) | KMT2AMETAP2HDAC2HDAC8HDAC6 | |
| SCHEMBL10387186 | 0.73 | CYP1A2 (0.52) | KMT2AHDAC2HDAC8HDAC6TSHR | |
| SCHEMBL14862482 | 0.72 | TSHR (0.49) | KMT2AMETAP2HDAC2HDAC8HDAC6 | |
| SCHEMBL7573931 | 0.72 | HSP90AA1 (0.50) | KMT2AHDAC2HDAC8HDAC6TSHR | |
| SCHEMBL10389701 | 0.72 | HPGD (0.58) | KMT2AHDAC2HDAC8HDAC6TSHR | |
| SCHEMBL1900238 | 0.71 | HDAC6 (0.67) | HDAC2HDAC8HDAC6TSHRHPGD | |
| SCHEMBL11901003 | 0.71 | KMT2A (0.89) | KMT2AMETAP2HDAC2HDAC8HDAC6 | |
| SCHEMBL457082 | 0.71 | HDAC6 (0.79) | HDAC2HDAC8HDAC6HPGDLMNA | |
| SCHEMBL11900090 | 0.71 | HDAC6 (0.85) | HDAC2HDAC8HDAC6TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1633716-A4 | BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-03-26 | — | — | EP | claimed |
| EP-1633716-A2 | BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-03-15 | — | — | EP | claimed |
| WO-2004094372-A2 | COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | claimed |
| EP-1633716-A4 | BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-1633716-A2 | BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004094372-A2 | COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |