Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11359453 | 0.86 | VCAM1 (0.49) | VCAM1MAPTKDM4EHPGDNPSR1 | |
| SCHEMBL10539731 | 0.83 | HPGD (0.44) | VCAM1MAPTKDM4EHPGDNPSR1 | |
| SCHEMBL10540661 | 0.81 | TDP1 (0.57) | VCAM1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL5924211 | 0.81 | ESR1 (0.57) | VCAM1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL4633666 | 0.81 | HCAR3 (0.63) | MAPTKDM4EHPGDNPSR1MEN1 | |
| SCHEMBL989006 | 0.81 | VCAM1 (0.56) | VCAM1MAPTKDM4EHPGDNPSR1 | |
| SCHEMBL1110902 | 0.80 | HCAR3 (0.70) | VCAM1MAPTKDM4EHPGDNPSR1 | |
| SCHEMBL19071923 | 0.79 | VCAM1 (0.55) | VCAM1MAPTKDM4EHPGDNPSR1 | |
| Hydrochloric Acid SCHEMBL9064842 | 0.79 | ESR1 (0.56) | VCAM1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL5216905 | 0.79 | TPMT (0.64) | VCAM1MAPTKDM4EHPGDNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4251454-A | MADE FROM ANILINOMETHYLENE CHLORO-AMINO-HYDROCINNAMONITRILE | HOFFMANN-LA ROCHE INC. (US) | 1981-02-17 | — | — | US | disclosed |
| US-4039543-A | SUBSTITUTED BY AMINE, N-RING, AMIDE, CARBAMATE, UREA | HOFFMANN-LA ROCHE INC. (US) | 1977-08-02 | — | — | US | disclosed |