Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
| ▸ | FPR2 | P25090 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL13478005 | 0.93 | MEN1 (0.55) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL16252305 | 0.90 | POLB (0.59) | MEN1KMT2ANPC1RAB9ACYP2D6 | |
| SCHEMBL19289959 | 0.88 | MEN1 (0.52) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL18435393 | 0.84 | NPC1 (0.53) | NPC1RAB9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18435193 | 0.84 | NPC1 (0.53) | NPC1RAB9ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16254380 | 0.84 | CYP2D6 (0.54) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL18435159 | 0.84 | LMNA (0.57) | MEN1KMT2AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL18435161 | 0.84 | LMNA (0.57) | MEN1KMT2AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL2685250 | 0.83 | GPR142 (0.63) | MEN1KMT2AMAPTGPR142SMN1; SMN2 | |
| SCHEMBL2685243 | 0.83 | GPR142 (0.63) | MEN1KMT2AMAPTGPR142SMN1; SMN2 |
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-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 |