Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TP53 | P04637 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 8/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094941 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TP53TSHRCYP3A4HIF1A | |
| SCHEMBL5515785 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TP53TSHRCYP3A4HIF1A | |
| SCHEMBL8151638 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TP53TSHRCYP3A4HIF1A | |
| SCHEMBL983383 | 0.81 | MAOB (0.57) | ALDH1A1TP53CYP3A4SMN1; SMN2MAOB | |
| SCHEMBL6782574 | 0.79 | MAOB (0.65) | ALDH1A1SMN1; SMN2MAOBMAOANPC1 | |
| SCHEMBL985688 | 0.79 | MAOB (0.54) | ALDH1A1TP53CYP3A4MAOBTDP1 | |
| SCHEMBL107322 | 0.78 | MAOB (0.83) | ALDH1A1TSHRCYP3A4MAOBTDP1 | |
| SCHEMBL1715242 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TP53TSHRCYP3A4HIF1A | |
| SCHEMBL21094081 | 0.78 | TDP1 (0.79) | ALDH1A1TP53TSHRCYP3A4HIF1A | |
| SCHEMBL20677146 | 0.78 | TDP1 (0.79) | ALDH1A1TP53TSHRCYP3A4HIF1A |
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-2022047375-A1 | NOVEL FUNGAL MODULATORS | TRUSTEES OF BOSTON UNIVERSITY (US) | 2022-03-03 | — | — | WO | disclosed |
| WO-2001017993-A1 | ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT | EGIS Gyógyszergyár Rt. (HU) | 2001-03-15 | — | — | WO | disclosed |