Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16615681 | 0.96 | TSHR (0.33) | TSHRKDM4EKMT2ASMN1; SMN2MAPT | |
| SCHEMBL8068602 | 0.83 | ALDH1A1 (0.40) | KDM4EKMT2AMAPTHDAC3HDAC4 | |
| SCHEMBL17188679 | 0.82 | ALDH1A1 (0.39) | KDM4EKMT2AMAPTFAAHHDAC3 | |
| SCHEMBL19418020 | 0.82 | ALDH1A1 (0.39) | KDM4EKMT2AMAPTFAAHHDAC3 | |
| SCHEMBL17762561 | 0.81 | FAAH (0.46) | TSHRSMN1; SMN2MAPTFAAHALDH1A1 | |
| SCHEMBL18101204 | 0.78 | PTPN1 (0.32) | KMT2AMAPTMEN1ALDH1A1 | |
| SCHEMBL15121069 | 0.78 | LMNA (0.43) | TSHRKDM4EKMT2ASMN1; SMN2MAPT | |
| SCHEMBL15684234 | 0.77 | HDAC3 (0.45) | TSHRSMN1; SMN2MAPTHDAC3HDAC4 | |
| SCHEMBL15684280 | 0.76 | ALOX5 (0.38) | ALDH1A1 | |
| SCHEMBL19503279 | 0.75 | ALDH1A1 (0.43) | KDM4EKMT2ASMN1; SMN2MAPTHDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016154527-A1 | PHOSPHATE-SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-29 | — | — | WO | disclosed |