Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9544149 | 0.87 | TDO2 (0.36) | MAOAMAOBCYP1A2CYP2A6ELANE | |
| Hydrochloric Acid SCHEMBL7609388 | 0.87 | HTR2A (0.42) | CYP1A2ELANEKMT2AALDH1A1HPGD | |
| SCHEMBL17067722 | 0.82 | CNR1 (0.38) | NPC1TP53SMN1; SMN2ACHE | |
| SCHEMBL9449382 | 0.82 | TRPM5 (0.37) | MAOAMAOBCYP1A2CYP2A6ELANE | |
| SCHEMBL1452779 | 0.80 | PGR (0.38) | MAOAMAOBELANEKMT2AALDH1A1 | |
| SCHEMBL10147112 | 0.78 | PPIA (0.33) | MAOAMAOBELANECHRNB2CHRNA4 | |
| SCHEMBL27375941 | 0.76 | HTR2A (0.44) | CYP1A2ELANEKMT2AALDH1A1HPGD | |
| SCHEMBL13825602 | 0.75 | MAOA (0.39) | MAOAMAOBCYP1A2CYP2A6ELANE | |
| SCHEMBL9449431 | 0.75 | EGFR (0.45) | CYP1A2ELANEKMT2AALDH1A1HPGD | |
| SCHEMBL9449414 | 0.74 | HRH3 (0.46) | CYP1A2ELANEKMT2AALDH1A1HPGD |
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-5668230-A | METALLOCENE WITH ETHYLENE BRIDGED FLUORENE UNITS, ALUMOXANE COCATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1997-09-16 | — | — | US | disclosed |