Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 10/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | VDR | P11473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11855920 | 0.89 | ALDH1A1 (0.50) | THRBKMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL2655338 | 0.86 | KMT2A (0.57) | THRBKMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL7822590 | 0.85 | VCAM1 (0.67) | THRBVCAM1MAPTALDH1A1PKM | |
| SCHEMBL10606064 | 0.82 | KMT2A (0.53) | KMT2AMEN1MAPTALDH1A1NPC1 | |
| SCHEMBL11547129 | 0.82 | KMT2A (0.44) | THRBKMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL10607220 | 0.81 | KMT2A (0.54) | THRBKMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL22470472 | 0.81 | KMT2A (0.52) | KMT2AMEN1MAPTALDH1A1NPC1 | |
| SCHEMBL7826598 | 0.81 | VCAM1 (0.49) | KMT2AMEN1VCAM1MAPTALDH1A1 | |
| SCHEMBL14881433 | 0.80 | THRB (0.53) | THRBKMT2AVCAM1MAPTALDH1A1 | |
| SCHEMBL25255894 | 0.79 | KMT2A (0.50) | KMT2AMEN1MAPTALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013059648-A1 | 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| WO-2013059648-A1 | 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2013-04-25 | — | — | WO | disclosed |