Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.58 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5002752 | 0.83 | CYP2A6 (0.58) | CYP2A6IMPDH2P2RX7KDM4EMEN1 | |
| SCHEMBL29953523 | 0.83 | CYP2A6 (0.58) | CYP2A6IMPDH2P2RX7KDM4EMEN1 | |
| SCHEMBL4775501 | 0.81 | NR4A2 (0.57) | CYP2A6IMPDH2KDM4ERAB9ANR4A2 | |
| SCHEMBL29950881 | 0.81 | NR4A2 (0.57) | CYP2A6IMPDH2KDM4ERAB9ANR4A2 | |
| SCHEMBL27988710 | 0.75 | CYP2A6 (0.50) | CYP2A6IMPDH2P2RX7KDM4EMEN1 | |
| SCHEMBL29952428 | 0.75 | CYP2A6 (0.70) | CYP2A6IMPDH2KDM4EMEN1KMT2A | |
| SCHEMBL6621360 | 0.74 | CYP2A6 (0.49) | CYP2A6IMPDH2P2RX7KDM4EKMT2A | |
| SCHEMBL9399714 | 0.74 | HDAC8 (0.51) | CYP2A6MMP3HDAC8KDM4EMEN1 | |
| SCHEMBL29954276 | 0.74 | CYP2A6 (0.64) | CYP2A6IMPDH2KDM4EMEN1KMT2A | |
| SCHEMBL644301 | 0.74 | CYP2A6 (1.00) | CYP2A6IMPDH2PIM1PIM3PIM2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429578-B2 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | AGOURON PHARMACEUTICALS, INC. (US) | 2008-09-30 | — | — | US | disclosed |
| US-20060009517-A1 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | AGOURON PHARMACEUTICALS, INC. | 2006-01-12 | — | — | US | disclosed |
| US-6977298-B2 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | Agouron Pharmacetucals, Inc. (US) | 2005-12-20 | — | — | US | disclosed |
| US-20050085460-A1 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | AGOURON PHARMACEUTICALS, INC. | 2005-04-21 | — | — | US | disclosed |
| US-20030078254-A1 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | WEBBER STEPHEN EVAN (US) | 2003-04-24 | — | — | US | disclosed |
| US-6495541-B1 | POTENTIATION OF ANTICANCER THERAPIES AND INHIBITION OF NEUROTOXICITY CONSEQUENT TO STROKE, HEAD TRAUMA, AND NEURO-DEGENERATIVE DISEASES; SUCH AS 2-BROMO-3,4-DIHYDROPYRROLO-(4,3,2-DE)ISOGUINOLIN-5-ONE | AGOURON PHARMACEUTICALS, INC. | 2002-12-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060009517-A1 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | PARP1, PARP2, PARP11 | CYP2A6 3623/4885IMPDH2 956/4885P2RX7 3660/4885 |
| US-20050085460-A1 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | PARP1, PARP2, PARP11 | CYP2A6 3623/4885IMPDH2 956/4885P2RX7 3660/4885 |
| US-20030078254-A1 | Tricyclic inhibitors of poly(ADP-ribose) polymerases | PARP1, PARP11, PARP2 | CYP2A6 3753/4885IMPDH2 1018/4885P2RX7 3695/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.