Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 2/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.47 |
| ▸ | USP2 | O75604 | 12/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9564945 | 0.85 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| SCHEMBL9691198 | 0.83 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| Fumaric Acid SCHEMBL9807342 | 0.79 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| SCHEMBL9537351 | 0.76 | HTR1A (0.56) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| Hydrochloric Acid SCHEMBL9800689 | 0.75 | HTR1A (0.54) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| Fumaric Acid SCHEMBL9876528 | 0.74 | HRH1 (0.49) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| SCHEMBL9536711 | 0.74 | CYP2D6 (0.59) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| SCHEMBL9564962 | 0.73 | USP2 (0.50) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| SCHEMBL9564997 | 0.73 | CYP3A4 (0.47) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD | |
| SCHEMBL9564953 | 0.73 | CYP1A2 (0.54) | CYP3A4SMN1; SMN2TSHRCYP2D6HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | disclosed |
| EP-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |