Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5281056 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRGLASMPD2MTNR1A | |
| SCHEMBL7424666 | 0.83 | CYP1A2 (0.46) | ALDH1A1KMT2AMEN1CYP2C9CYP2C19 | |
| SCHEMBL7424670 | 0.83 | CYP1A2 (0.46) | ALDH1A1KMT2AMEN1CYP2C9CYP2C19 | |
| SCHEMBL12985477 | 0.80 | KMT2A (0.41) | ALDH1A1SMN1; SMN2LMNAKMT2AMEN1 | |
| SCHEMBL3963076 | 0.77 | KMT2A (0.45) | ALDH1A1MTNR1AMTNR1BSMN1; SMN2KMT2A | |
| SCHEMBL679865 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TSHRGLASMPD2SMN1; SMN2 | |
| SCHEMBL27820012 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TSHRGLASMPD2SMN1; SMN2 | |
| SCHEMBL3199580 | 0.77 | KMT2A (0.41) | ALDH1A1TSHRGLASMN1; SMN2TP53 | |
| SCHEMBL4564576 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TSHRGLASMPD2SMN1; SMN2 | |
| SCHEMBL21776703 | 0.76 | NPSR1 (0.41) | ALDH1A1TSHRGLASMPD2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6403645-B2 | Antidepressant effect of norepinephrine uptake 2 inhibitors and combined medications including them | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-06-11 | — | — | US | claimed |
| US-20070116643-A1 | Novel aryloxypropanamines | CONCERT PHARMACEUTICALS INC. (US) | 2007-05-24 | — | — | US | disclosed |
| WO-2007005644-A2 | NOVEL ARYLOXYPROPANAMINES | CONCERT PHARMACEUTICALS INC. (US) | 2007-01-11 | — | — | WO | disclosed |