Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.33 |
| ▸ | MGMT | P16455 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18152810 | 0.76 | MDM2 (0.42) | HTTMAPTPTGS1PTGS2MGMT | |
| SCHEMBL30811696 | 0.67 | CYP3A4 (0.40) | MAPTALDH1A1CYP3A4 | |
| SCHEMBL18152696 | 0.67 | RIPK1 (0.37) | HTTMAPTMGMTRIPK1SMN1; SMN2 | |
| SCHEMBL1250100 | 0.65 | AKR1B1 (0.38) | HTTMAPTALDH1A1MAPK1CYP1A2 | |
| SCHEMBL18152622 | 0.65 | MGMT (0.39) | MAPTMGMTCYP1A2IDO1 | |
| SCHEMBL14638102 | 0.63 | HTT (0.44) | HTTNPC1RAB9AMGMTKCNJ1 | |
| SCHEMBL22655651 | 0.62 | MAPT (0.39) | MAPTALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL4584917 | 0.62 | TDP1 (0.39) | HTTMAPTNPC1RAB9AMGMT | |
| SCHEMBL30856168 | 0.62 | CYP1A2 (0.47) | MAPTRAB9AALDH1A1MAPK1CYP1A2 | |
| SCHEMBL27949168 | 0.61 | LMNA (0.38) | HTTPTGS1PTGS2NPC1RAB9A |
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-3283077-A2 | BROMODOMAIN INHIBITOR | Celgene Quanticel Research, Inc. (US) | 2018-02-21 | — | — | EP | disclosed |
| WO-2016168682-A2 | BROMODOMAIN INHIBITOR | CELGENE QUANTICEL RESEARCH, INC. (US) | 2016-10-20 | — | — | WO | disclosed |