Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1666684 | 0.81 | KMT2A (0.50) | KMT2AMEN1MAOACYP1A2ERBB2 | |
| Ethyne SCHEMBL8599405 | 0.78 | KMT2A (0.54) | KMT2AMEN1CYP1A1CYP1B1MAOA | |
| SCHEMBL8598610 | 0.78 | KMT2A (0.57) | KMT2AMEN1CYP1A1CYP1B1MAOA | |
| SCHEMBL1667175 | 0.75 | KMT2A (0.46) | KMT2AMEN1MAOACYP1A2ERBB2 | |
| SCHEMBL17192495 | 0.75 | AKR1C3 (0.46) | KMT2AMEN1MAOAMAOBALDH1A1 | |
| SCHEMBL16241710 | 0.75 | AKR1C3 (0.46) | KMT2AMEN1MAOAMAOBALDH1A1 | |
| SCHEMBL27978268 | 0.73 | KMT2A (0.50) | KMT2AMEN1MAOACYP1A2ERBB2 | |
| Pyrene SCHEMBL27886107 | 0.72 | ALDH1A1 (0.67) | KMT2AMEN1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL3706301 | 0.71 | KMT2A (0.49) | KMT2AMEN1MAOACYP1A2ERBB2 | |
| SCHEMBL21246147 | 0.71 | CYP1A2 (0.53) | KMT2AMEN1CYP1A1CYP1B1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-5707557-A | Photochromic 3H-naphthopyrans | OPTISCHE WERKE G. RODENSTOCK (DE) | 1998-01-13 | — | — | US | disclosed |