Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.48 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18435304 | 0.85 | ALDH1A1 (0.56) | ALDH1A1KDM4ERAB9ATDP1SMN1; SMN2 | |
| SCHEMBL14943709 | 0.85 | CAPN1 (0.57) | ALDH1A1KDM4ERAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL18435306 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KDM4ERAB9ATDP1SMN1; SMN2 | |
| SCHEMBL19290049 | 0.85 | ALDH1A1 (0.56) | ALDH1A1KDM4ERAB9ATDP1SMN1; SMN2 | |
| SCHEMBL11855484 | 0.84 | MTNR1A (0.56) | ALDH1A1 | |
| SCHEMBL10708247 | 0.81 | L3MBTL1 (0.48) | ALDH1A1KDM4ERAB9ATDP1SMN1; SMN2 | |
| SCHEMBL15223635 | 0.81 | CYP3A4 (0.56) | ALDH1A1KDM4ERAB9ATDP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11145863 | 0.80 | L3MBTL1 (0.47) | ALDH1A1KDM4ERAB9ATDP1SMN1; SMN2 | |
| SCHEMBL6846291 | 0.80 | MMP1 (0.58) | MMP1 | |
| SCHEMBL4428864 | 0.80 | MMP1 (0.58) | MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2861581-B9 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-08-30 | — | — | EP | disclosed |
| EP-2861581-B1 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-02-01 | — | — | EP | disclosed |
| US-8889712-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |